Survey of ab initio phonon thermal transport

Lindsay, Lucas R.; Hua, Chengyun; Ruan, Xiulin; Lee, Sangyeop

doi:10.1016/j.mtphys.2018.11.008

Title: Survey of ab initio phonon thermal transport

Journal Article · Thu Dec 20 00:00:00 EST 2018 · Materials Today Physics

DOI:https://doi.org/10.1016/j.mtphys.2018.11.008· OSTI ID:1490581

^[1];

^[2]; Lee, Sangyeop ^[3]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Purdue Univ., West Lafayette, IN (United States)
Univ. of Pittsburgh, PA (United States)

The coupling of lattice dynamics and phonon transport methodologies with density functional theory has become a powerful tool for calculating lattice thermal conductivity (κ) with demonstrated quantitative accuracy and applicability to a wide range of materials. More importantly, these first-principles transport methods lack empirical tuning parameters so that reliable predictions of κ behaviors in new and old materials can be formulated. Since its inception nearly a decade ago, first-principles thermal transport has vastly expanded the range of materials examined, altered our physical intuition of phonon interactions and transport behaviors, provided deeper understanding of experiments, and accelerated the design of materials for targeted thermal functionalities. Such advances are critically important for developing novel thermal management materials and strategies as heat sets challenging operating limitations on engines, microelectronics, and batteries. Here, this article provides a comprehensive survey of first-principles Peierls-Boltzmann thermal transport as developed in the literature over the last decade, with particular focus on more recent advances. Lastly, this review will demonstrate the wide variety of calculations accessible to first-principles transport methods (including dimensionality, pressure, and defects), highlight unusual properties and predictions that have been made, and discuss some challenges and behaviors that lie beyond.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1490581

Alternate ID(s):: OSTI ID: 1637237

Journal Information:: Materials Today Physics, Vol. 7, Issue C; ISSN 2542-5293

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 81 works

Citation information provided by
Web of Science

References (251)

Ultralow thermal conductivity in all-inorganic halide perovskites Lee, Woochul; Li, Huashan; Wong, Andrew B. Proceedings of the National Academy of Sciences, Vol. 114, Issue 33 https://doi.org/10.1073/pnas.1711744114	journal	July 2017
Thermal Conductivity of Graphene and Graphite: Collective Excitations and Mean Free Paths Fugallo, Giorgia; Cepellotti, Andrea; Paulatto, Lorenzo Nano Letters, Vol. 14, Issue 11 https://doi.org/10.1021/nl502059f	journal	October 2014
Zur Theorie der spezifischen Wärmen Debye, P. Annalen der Physik, Vol. 344, Issue 14 https://doi.org/10.1002/andp.19123441404	journal	January 1912
Intrinsic lattice thermal conductivity of semiconductors from first principles Broido, D. A.; Malorny, M.; Birner, G. Applied Physics Letters, Vol. 91, Issue 23 https://doi.org/10.1063/1.2822891	journal	December 2007
Low thermal conductivity and triaxial phononic anisotropy of SnSe Carrete, Jesús; Mingo, Natalio; Curtarolo, Stefano Applied Physics Letters, Vol. 105, Issue 10 https://doi.org/10.1063/1.4895770	journal	September 2014
Zur kinetischen Theorie der Wärmeleitung in Kristallen Peierls, R. Annalen der Physik, Vol. 395, Issue 8 https://doi.org/10.1002/andp.19293950803	journal	January 1929
Phonon conduction in PbSe, PbTe, and PbTe $_{1 - x}$ Se $_{x}$ from first-principles calculations Tian, Zhiting; Garg, Jivtesh; Esfarjani, Keivan Physical Review B, Vol. 85, Issue 18 https://doi.org/10.1103/PhysRevB.85.184303	journal	May 2012
Thermal conductivity of bulk and nanowire Mg $_{2}$ Si $_{x}$ Sn $_{1 - x}$ alloys from first principles Li, Wu; Lindsay, L.; Broido, D. A. Physical Review B, Vol. 86, Issue 17 https://doi.org/10.1103/PhysRevB.86.174307	journal	November 2012
Ab initio theory of the lattice thermal conductivity in diamond Ward, A.; Broido, D. A.; Stewart, Derek A. Physical Review B, Vol. 80, Issue 12 https://doi.org/10.1103/PhysRevB.80.125203	journal	September 2009
Tensile strains give rise to strong size effects for thermal conductivities of silicene, germanene and stanene Kuang, Y. D.; Lindsay, L.; Shi, S. Q. Nanoscale, Vol. 8, Issue 6 https://doi.org/10.1039/C5NR08231E	journal	January 2016
An iterative approach to the phonon Boltzmann equation in the theory of thermal conductivity Omini, M.; Sparavigna, A. Physica B: Condensed Matter, Vol. 212, Issue 2 https://doi.org/10.1016/0921-4526(95)00016-3	journal	July 1995
Ab initio variational approach for evaluating lattice thermal conductivity Fugallo, Giorgia; Lazzeri, Michele; Paulatto, Lorenzo Physical Review B, Vol. 88, Issue 4 https://doi.org/10.1103/PhysRevB.88.045430	journal	July 2013
Empirical Interatomic Potential for Carbon, with Applications to Amorphous Carbon Tersoff, J. Physical Review Letters, Vol. 61, Issue 25 https://doi.org/10.1103/PhysRevLett.61.2879	journal	December 1988
Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films Brenner, Donald W. Physical Review B, Vol. 42, Issue 15 https://doi.org/10.1103/PhysRevB.42.9458	journal	November 1990
Adiabatic bond charge model for the phonons in diamond, Si, Ge, and $α - Sn$ Weber, Werner Physical Review B, Vol. 15, Issue 10 https://doi.org/10.1103/PhysRevB.15.4789	journal	May 1977
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
First-principles computation of material properties: the ABINIT software project Gonze, X.; Beuken, J. -M.; Caracas, R. Computational Materials Science, Vol. 25, Issue 3 https://doi.org/10.1016/S0927-0256(02)00325-7	journal	November 2002
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Anharmonic Phonon Lifetimes in Semiconductors from Density-Functional Perturbation Theory Debernardi, Alberto; Baroni, Stefano; Molinari, Elisa Physical Review Letters, Vol. 75, Issue 9 https://doi.org/10.1103/PhysRevLett.75.1819	journal	August 1995
Phonon linewidth in III-V semiconductors from density-functional perturbation theory Debernardi, Alberto Physical Review B, Vol. 57, Issue 20 https://doi.org/10.1103/PhysRevB.57.12847	journal	May 1998
Pressure Dependence of Raman Linewidth in Semiconductors Debernardi, A.; Ulrich, C.; Cardona, M. physica status solidi (b), Vol. 223, Issue 1 https://doi.org/10.1002/1521-3951(200101)223:1<213::AID-PSSB213>3.0.CO;2-I	journal	January 2001
Raman tensor calculated from the $2 n + 1$ theorem in density-functional theory Deinzer, G.; Strauch, D. Physical Review B, Vol. 66, Issue 10 https://doi.org/10.1103/PhysRevB.66.100301	journal	September 2002
Ab initio calculation of the linewidth of various phonon modes in germanium and silicon Deinzer, G.; Birner, G.; Strauch, D. Physical Review B, Vol. 67, Issue 14 https://doi.org/10.1103/PhysRevB.67.144304	journal	April 2003
Intrinsic lifetimes and anharmonic frequency shifts of long-wavelength optical phonons in polar crystals Deinzer, G.; Schmitt, M.; Mayer, A. P. Physical Review B, Vol. 69, Issue 1 https://doi.org/10.1103/PhysRevB.69.014304	journal	January 2004
Phonon Anharmonicities in Graphite and Graphene Bonini, Nicola; Lazzeri, Michele; Marzari, Nicola Physical Review Letters, Vol. 99, Issue 17 https://doi.org/10.1103/PhysRevLett.99.176802	journal	October 2007
Ultralow-loss polaritons in isotopically pure boron nitride Giles, Alexander J.; Dai, Siyuan; Vurgaftman, Igor Nature Materials, Vol. 17, Issue 2 https://doi.org/10.1038/nmat5047	journal	December 2017
Lattice dynamics and thermal conductivity of skutterudites ${CoSb}_{3}$ and ${IrSb}_{3}$ from first principles: Why ${IrSb}_{3}$ is a better thermal conductor than ${CoSb}_{3}$ Li, Wu; Mingo, Natalio Physical Review B, Vol. 90, Issue 9 https://doi.org/10.1103/PhysRevB.90.094302	journal	September 2014
ShengBTE: A solver of the Boltzmann transport equation for phonons Li, Wu; Carrete, Jesús; A. Katcho, Nebil Computer Physics Communications, Vol. 185, Issue 6 https://doi.org/10.1016/j.cpc.2014.02.015	journal	June 2014
Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations Tadano, T.; Gohda, Y.; Tsuneyuki, S. Journal of Physics: Condensed Matter, Vol. 26, Issue 22 https://doi.org/10.1088/0953-8984/26/22/225402	journal	May 2014
Distributions of phonon lifetimes in Brillouin zones Togo, Atsushi; Chaput, Laurent; Tanaka, Isao Physical Review B, Vol. 91, Issue 9 https://doi.org/10.1103/PhysRevB.91.094306	journal	March 2015
Phonon Transport Simulator (PhonTS) Chernatynskiy, Aleksandr; Phillpot, Simon R. Computer Physics Communications, Vol. 192 https://doi.org/10.1016/j.cpc.2015.01.008	journal	July 2015
Lattice thermal conductivity of MgO at conditions of Earth's interior Tang, X.; Dong, J. Proceedings of the National Academy of Sciences, Vol. 107, Issue 10 https://doi.org/10.1073/pnas.0907194107	journal	February 2010
Thermal conductivity of half-Heusler compounds from first-principles calculations Shiomi, Junichiro; Esfarjani, Keivan; Chen, Gang Physical Review B, Vol. 84, Issue 10 https://doi.org/10.1103/PhysRevB.84.104302	journal	September 2011
Ab initio thermal transport in compound semiconductors Lindsay, L.; Broido, D. A.; Reinecke, T. L. Physical Review B, Vol. 87, Issue 16 https://doi.org/10.1103/PhysRevB.87.165201	journal	April 2013
Resonant bonding leads to low lattice thermal conductivity Lee, Sangyeop; Esfarjani, Keivan; Luo, Tengfei Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4525	journal	April 2014
Lattice thermal conductivity of Bi, Sb, and Bi-Sb alloy from first principles Lee, Sangyeop; Esfarjani, Keivan; Mendoza, Jonathan Physical Review B, Vol. 89, Issue 8 https://doi.org/10.1103/PhysRevB.89.085206	journal	February 2014
Accelerating evaluation of converged lattice thermal conductivity Qin, Guangzhao; Hu, Ming npj Computational Materials, Vol. 4, Issue 1 https://doi.org/10.1038/s41524-017-0058-3	journal	January 2018
Effect of exchange–correlation on first-principles-driven lattice thermal conductivity predictions of crystalline silicon Jain, Ankit; McGaughey, Alan J. H. Computational Materials Science, Vol. 110 https://doi.org/10.1016/j.commatsci.2015.08.014	journal	December 2015
First-principles phonon thermal transport in graphene: Effects of exchange-correlation and type of pseudopotential Taheri, Armin; Da Silva, Carlos; Amon, Cristina H. Journal of Applied Physics, Vol. 123, Issue 21 https://doi.org/10.1063/1.5027619	journal	June 2018
Thermal conductivity of argon at high pressure from first principles calculations Chernatynskiy, Aleksandr; Phillpot, Simon R. Journal of Applied Physics, Vol. 114, Issue 6 https://doi.org/10.1063/1.4817901	journal	August 2013
Phonon thermal transport in strained and unstrained graphene from first principles Lindsay, L.; Li, Wu; Carrete, Jesús Physical Review B, Vol. 89, Issue 15 https://doi.org/10.1103/PhysRevB.89.155426	journal	April 2014
First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS Guo, Ruiqiang; Wang, Xinjiang; Kuang, Youdi Physical Review B, Vol. 92, Issue 11 https://doi.org/10.1103/PhysRevB.92.115202	journal	September 2015
Phonon transport in perovskite SrTiO ₃ from first principles Feng, Lei; Shiga, Takuma; Shiomi, Junichiro Applied Physics Express, Vol. 8, Issue 7 https://doi.org/10.7567/APEX.8.071501	journal	June 2015
Isotope scattering and phonon thermal conductivity in light atom compounds: LiH and LiF Lindsay, L. Physical Review B, Vol. 94, Issue 17 https://doi.org/10.1103/PhysRevB.94.174304	journal	November 2016
First principles calculation of lattice thermal conductivity of metals considering phonon-phonon and phonon-electron scattering Wang, Yan; Lu, Zexi; Ruan, Xiulin Journal of Applied Physics, Vol. 119, Issue 22 https://doi.org/10.1063/1.4953366	journal	June 2016
First-principles calculation of lattice thermal conductivity in crystalline phase change materials: GeTe, ${Sb}_{2} {Te}_{3}$ , and ${Ge}_{2} {Sb}_{2} {Te}_{5}$ Campi, Davide; Paulatto, Lorenzo; Fugallo, Giorgia Physical Review B, Vol. 95, Issue 2 https://doi.org/10.1103/PhysRevB.95.024311	journal	January 2017
Thermal conductivity of skutterudite CoSb3 from first principles: Substitution and nanoengineering effects Guo, Ruiqiang; Wang, Xinjiang; Huang, Baoling Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep07806	journal	January 2015
Anharmonic properties in $M g_{2} X$ $(X = C, Si, Ge, Sn, Pb)$ from first-principles calculations Chernatynskiy, Aleksandr; Phillpot, Simon R. Physical Review B, Vol. 92, Issue 6 https://doi.org/10.1103/PhysRevB.92.064303	journal	August 2015
Ultralow Thermal Conductivity in Full Heusler Semiconductors He, Jiangang; Amsler, Maximilian; Xia, Yi Physical Review Letters, Vol. 117, Issue 4 https://doi.org/10.1103/PhysRevLett.117.046602	journal	July 2016
Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization Seko, Atsuto; Togo, Atsushi; Hayashi, Hiroyuki Physical Review Letters, Vol. 115, Issue 20 https://doi.org/10.1103/PhysRevLett.115.205901	journal	November 2015
Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods Legrain, Fleur; Carrete, Jesús; van Roekeghem, Ambroise The Journal of Physical Chemistry B, Vol. 122, Issue 2 https://doi.org/10.1021/acs.jpcb.7b05296	journal	August 2017
Quantum mechanical prediction of four-phonon scattering rates and reduced thermal conductivity of solids Feng, Tianli; Ruan, Xiulin Physical Review B, Vol. 93, Issue 4 https://doi.org/10.1103/PhysRevB.93.045202	journal	January 2016
Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations Turney, J. E.; Landry, E. S.; McGaughey, A. J. H. Physical Review B, Vol. 79, Issue 6 https://doi.org/10.1103/PhysRevB.79.064301	journal	February 2009
Three-phonon phase space and lattice thermal conductivity in semiconductors Lindsay, L.; Broido, D. A. Journal of Physics: Condensed Matter, Vol. 20, Issue 16 https://doi.org/10.1088/0953-8984/20/16/165209	journal	March 2008
Role of Three-Phonon and Four-Phonon Processes in Thermal Transport of Single-Walled Carbon Nanotubes Sapna, P.; Singh, T. J. Modern Physics Letters B, Vol. 27, Issue 16 https://doi.org/10.1142/S0217984913501170	journal	June 2013
Metric for strong intrinsic fourth-order phonon anharmonicity Yue, Sheng-Ying; Zhang, Xiaoliang; Qin, Guangzhao Physical Review B, Vol. 95, Issue 19 https://doi.org/10.1103/PhysRevB.95.195203	journal	May 2017
Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids Feng, Tianli; Lindsay, Lucas; Ruan, Xiulin Physical Review B, Vol. 96, Issue 16 https://doi.org/10.1103/PhysRevB.96.161201	journal	October 2017
Experimental observation of high thermal conductivity in boron arsenide Kang, Joon Sang; Li, Man; Wu, Huan Science, Vol. 361, Issue 6402 https://doi.org/10.1126/science.aat5522	journal	July 2018
High thermal conductivity in cubic boron arsenide crystals Li, Sheng; Zheng, Qiye; Lv, Yinchuan Science, Vol. 361, Issue 6402 https://doi.org/10.1126/science.aat8982	journal	July 2018
Unusual high thermal conductivity in boron arsenide bulk crystals Tian, Fei; Song, Bai; Chen, Xi Science, Vol. 361, Issue 6402 https://doi.org/10.1126/science.aat7932	journal	July 2018
First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond? Lindsay, L.; Broido, D. A.; Reinecke, T. L. Physical Review Letters, Vol. 111, Issue 2, Article No. 025901 https://doi.org/10.1103/PhysRevLett.111.025901	journal	July 2013
Four-phonon scattering reduces intrinsic thermal conductivity of graphene and the contributions from flexural phonons Feng, Tianli; Ruan, Xiulin Physical Review B, Vol. 97, Issue 4 https://doi.org/10.1103/PhysRevB.97.045202	journal	January 2018
Unified first-principles theory of thermal properties of insulators Ravichandran, Navaneetha K.; Broido, David Physical Review B, Vol. 98, Issue 8 https://doi.org/10.1103/PhysRevB.98.085205	journal	August 2018
Revisiting lattice thermal transport in PbTe: The crucial role of quartic anharmonicity Xia, Yi Applied Physics Letters, Vol. 113, Issue 7 https://doi.org/10.1063/1.5040887	journal	August 2018
Electron-phonon interaction using Wannier functions Giustino, Feliciano; Cohen, Marvin L.; Louie, Steven G. Physical Review B, Vol. 76, Issue 16 https://doi.org/10.1103/PhysRevB.76.165108	journal	October 2007
EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions Noffsinger, Jesse; Giustino, Feliciano; Malone, Brad D. Computer Physics Communications, Vol. 181, Issue 12, p. 2140-2148 https://doi.org/10.1016/j.cpc.2010.08.027	journal	December 2010
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions Poncé, S.; Margine, E. R.; Verdi, C. Computer Physics Communications, Vol. 209 https://doi.org/10.1016/j.cpc.2016.07.028	journal	December 2016
First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors Zhou, Jiawei; Liao, Bolin; Chen, Gang Semiconductor Science and Technology, Vol. 31, Issue 4 https://doi.org/10.1088/0268-1242/31/4/043001	journal	March 2016
First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs Liu, Te-Huan; Zhou, Jiawei; Liao, Bolin Physical Review B, Vol. 95, Issue 7 https://doi.org/10.1103/PhysRevB.95.075206	journal	February 2017
Significant Reduction of Lattice Thermal Conductivity by the Electron-Phonon Interaction in Silicon with High Carrier Concentrations: A First-Principles Study Liao, Bolin; Qiu, Bo; Zhou, Jiawei Physical Review Letters, Vol. 114, Issue 11 https://doi.org/10.1103/PhysRevLett.114.115901	journal	March 2015
Thermal transport by phonons and electrons in aluminum, silver, and gold from first principles Jain, Ankit; McGaughey, Alan J. H. Physical Review B, Vol. 93, Issue 8 https://doi.org/10.1103/PhysRevB.93.081206	journal	February 2016
Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport Li, Chunhua; Ravichandran, Navaneetha K.; Lindsay, Lucas Physical Review Letters, Vol. 121, Issue 17 https://doi.org/10.1103/PhysRevLett.121.175901	journal	October 2018
First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao Scripta Materialia, Vol. 108 https://doi.org/10.1016/j.scriptamat.2015.07.021	journal	November 2015
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles Skelton, Jonathan M.; Parker, Stephen C.; Togo, Atsushi Physical Review B, Vol. 89, Issue 20 https://doi.org/10.1103/PhysRevB.89.205203	journal	May 2014
Temperature-dependent effective third-order interatomic force constants from first principles Hellman, Olle; Abrikosov, I. A. Physical Review B, Vol. 88, Issue 14 https://doi.org/10.1103/PhysRevB.88.144301	journal	October 2013
Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations Zhou, Fei; Nielson, Weston; Xia, Yi Physical Review Letters, Vol. 113, Issue 18 https://doi.org/10.1103/PhysRevLett.113.185501	journal	October 2014
Self-Consistent Phonon Formulation of Anharmonic Lattice Dynamics Werthamer, N. R. Physical Review B, Vol. 1, Issue 2 https://doi.org/10.1103/PhysRevB.1.572	journal	January 1970
Self-consistent phonon calculations of lattice dynamical properties in cubic ${SrTiO}_{3}$ with first-principles anharmonic force constants Tadano, Terumasa; Tsuneyuki, Shinji Physical Review B, Vol. 92, Issue 5 https://doi.org/10.1103/PhysRevB.92.054301	journal	August 2015
Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics Li, C. W.; Hellman, O.; Ma, J. Physical Review Letters, Vol. 112, Issue 17 https://doi.org/10.1103/PhysRevLett.112.175501	journal	April 2014
Thermal conductivity in PbTe from first principles Romero, A. H.; Gross, E. K. U.; Verstraete, M. J. Physical Review B, Vol. 91, Issue 21 https://doi.org/10.1103/PhysRevB.91.214310	journal	June 2015
Ab initio calculation of the thermal conductivity of indium antimonide Miranda, Alonso L.; Xu, Bin; Hellman, Olle Semiconductor Science and Technology, Vol. 29, Issue 12 https://doi.org/10.1088/0268-1242/29/12/124002	journal	November 2014
Phonon thermal transport in ${Bi}_{2} {Te}_{3}$ from first principles Hellman, Olle; Broido, David A. Physical Review B, Vol. 90, Issue 13 https://doi.org/10.1103/PhysRevB.90.134309	journal	October 2014
Anomalous thermal conductivity and suppression of negative thermal expansion in ${ScF}_{3}$ van Roekeghem, Ambroise; Carrete, Jesús; Mingo, Natalio Physical Review B, Vol. 94, Issue 2 https://doi.org/10.1103/PhysRevB.94.020303	journal	July 2016
Thermal conductivity of diamond under extreme pressure: A first-principles study Broido, D. A.; Lindsay, L.; Ward, A. Physical Review B, Vol. 86, Issue 11 https://doi.org/10.1103/PhysRevB.86.115203	journal	September 2012
Polar Effects on the Thermal Conductivity of Cubic Boron Nitride under Pressure Mukhopadhyay, Saikat; Stewart, Derek A. Physical Review Letters, Vol. 113, Issue 2 https://doi.org/10.1103/PhysRevLett.113.025901	journal	July 2014
Anomalous pressure dependence of thermal conductivities of large mass ratio compounds Lindsay, L.; Broido, D. A.; Carrete, Jesús Physical Review B, Vol. 91, Issue 12 https://doi.org/10.1103/PhysRevB.91.121202	journal	March 2015
Competing mechanism driving diverse pressure dependence of thermal conductivity of $X Te$ $(X = Hg, Cd, and Zn)$ Ouyang, Tao; Hu, Ming Physical Review B, Vol. 92, Issue 23 https://doi.org/10.1103/PhysRevB.92.235204	journal	December 2015
The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting Mukhopadhyay, Saikat; Bansal, Dipanshu; Delaire, Olivier Physical Review B, Vol. 96, Issue 10 https://doi.org/10.1103/PhysRevB.96.100301	journal	September 2017
Thermal conductivity of graphene mediated by strain and size Kuang, Youdi; Lindsay, Lucas; Shi, Sanqiang International Journal of Heat and Mass Transfer, Vol. 101 https://doi.org/10.1016/j.ijheatmasstransfer.2016.05.072	journal	October 2016
Large tunability of lattice thermal conductivity of monolayer silicene via mechanical strain Xie, Han; Ouyang, Tao; Germaneau, Éric Physical Review B, Vol. 93, Issue 7 https://doi.org/10.1103/PhysRevB.93.075404	journal	February 2016
Unusual Enhancement in Intrinsic Thermal Conductivity of Multilayer Graphene by Tensile Strains Kuang, Youdi; Lindsay, Lucas; Huang, Baoling Nano Letters, Vol. 15, Issue 9 https://doi.org/10.1021/acs.nanolett.5b02403	journal	August 2015
Thermal conductivity of biaxial-strained MoS ₂ : sensitive strain dependence and size-dependent reduction rate Zhu, Liyan; Zhang, Tingting; Sun, Ziming Nanotechnology, Vol. 26, Issue 46 https://doi.org/10.1088/0957-4484/26/46/465707	journal	October 2015
Nonmetallic crystals with high thermal conductivity Slack, G. A. Journal of Physics and Chemistry of Solids, Vol. 34, Issue 2 https://doi.org/10.1016/0022-3697(73)90092-9	journal	January 1973
Thermal Conductivity and Large Isotope Effect in GaN from First Principles Lindsay, L.; Broido, D. A.; Reinecke, T. L. Physical Review Letters, Vol. 109, Issue 9 https://doi.org/10.1103/PhysRevLett.109.095901	journal	August 2012
Thermal conductivity of compound semiconductors: Interplay of mass density and acoustic-optical phonon frequency gap Jain, Ankit; McGaughey, Alan J. H. Journal of Applied Physics, Vol. 116, Issue 7 https://doi.org/10.1063/1.4893185	journal	August 2014
Ab initio study of the unusual thermal transport properties of boron arsenide and related materials Broido, D. A.; Lindsay, L.; Reinecke, T. L. Physical Review B, Vol. 88, Issue 21 https://doi.org/10.1103/PhysRevB.88.214303	journal	December 2013
Optic phonon bandwidth and lattice thermal conductivity: The case of $L i_{2} X$ ( $X = O$ , S, Se, Te) Mukhopadhyay, S.; Lindsay, L.; Parker, D. S. Physical Review B, Vol. 93, Issue 22 https://doi.org/10.1103/PhysRevB.93.224301	journal	June 2016
Spectral concentration of thermal conductivity in GaN—A first-principles study Garg, Jivtesh; Luo, Tengfei; Chen, Gang Applied Physics Letters, Vol. 112, Issue 25 https://doi.org/10.1063/1.5026903	journal	June 2018
Thermal Conductivity of Wurtzite Zinc-Oxide from First-Principles Lattice Dynamics – a Comparative Study with Gallium Nitride Wu, Xufei; Lee, Jonghoon; Varshney, Vikas Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep22504	journal	March 2016
Exceptionally Strong Phonon Scattering by B Substitution in Cubic SiC Katre, Ankita; Carrete, Jesús; Dongre, Bonny Physical Review Letters, Vol. 119, Issue 7 https://doi.org/10.1103/PhysRevLett.119.075902	journal	August 2017
Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles Protik, Nakib Haider; Katre, Ankita; Lindsay, Lucas Materials Today Physics, Vol. 1 https://doi.org/10.1016/j.mtphys.2017.05.004	journal	June 2017
Lattice thermal transport in superhard hexagonal diamond and wurtzite boron nitride: A comparative study with cubic diamond and cubic boron nitride Chakraborty, Pranay; Xiong, Guoping; Cao, Lei Carbon, Vol. 139 https://doi.org/10.1016/j.carbon.2018.06.025	journal	November 2018
Pressure Induced Metastable Amorphization of BAs: Evidence for a Kinetically Frustrated Phase Transformation Greene, Raymond G.; Luo, Huan; Ruoff, Arthur L. Physical Review Letters, Vol. 73, Issue 18 https://doi.org/10.1103/PhysRevLett.73.2476	journal	October 1994
Anomalous vibrational properties of cubic boron arsenide Hadjiev, V. G.; Iliev, M. N.; Lv, B. Physical Review B, Vol. 89, Issue 2 https://doi.org/10.1103/PhysRevB.89.024308	journal	January 2014
Boron arsenide phonon dispersion from inelastic x-ray scattering: Potential for ultrahigh thermal conductivity Ma, Hao; Li, Chen; Tang, Shixiong Physical Review B, Vol. 94, Issue 22 https://doi.org/10.1103/PhysRevB.94.220303	journal	December 2016
Experimental study of the proposed super-thermal-conductor: BAs Lv, Bing; Lan, Yucheng; Wang, Xiqu Applied Physics Letters, Vol. 106, Issue 7 https://doi.org/10.1063/1.4913441	journal	February 2015
Thermal and thermoelectric transport measurements of an individual boron arsenide microstructure Kim, Jaehyun; Evans, Daniel A.; Sellan, Daniel P. Applied Physics Letters, Vol. 108, Issue 20 https://doi.org/10.1063/1.4950970	journal	May 2016
Seeded growth of boron arsenide single crystals with high thermal conductivity Tian, Fei; Song, Bai; Lv, Bing Applied Physics Letters, Vol. 112, Issue 3 https://doi.org/10.1063/1.5004200	journal	January 2018
Ab initio study of the effect of vacancies on the thermal conductivity of boron arsenide Protik, Nakib Haider; Carrete, Jesús; Katcho, Nebil A. Physical Review B, Vol. 94, Issue 4 https://doi.org/10.1103/PhysRevB.94.045207	journal	July 2016
Antisite Pairs Suppress the Thermal Conductivity of BAs Zheng, Qiang; Polanco, Carlos A.; Du, Mao-Hua Physical Review Letters, Vol. 121, Issue 10 https://doi.org/10.1103/PhysRevLett.121.105901	journal	September 2018
Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study Garg, Jivtesh; Bonini, Nicola; Kozinsky, Boris Physical Review Letters, Vol. 106, Issue 4 https://doi.org/10.1103/PhysRevLett.106.045901	journal	January 2011
Enhancing phonon transmission across a Si/Ge interface by atomic roughness: First-principles study with the Green's function method Tian, Zhiting; Esfarjani, Keivan; Chen, Gang Physical Review B, Vol. 86, Issue 23 https://doi.org/10.1103/PhysRevB.86.235304	journal	December 2012
Green's function studies of phonon transport across Si/Ge superlattices Tian, Zhiting; Esfarjani, Keivan; Chen, Gang Physical Review B, Vol. 89, Issue 23 https://doi.org/10.1103/PhysRevB.89.235307	journal	June 2014
Giant anharmonic phonon scattering in PbTe Delaire, O.; Ma, J.; Marty, K. Nature Materials, Vol. 10, Issue 8, p. 614-619 https://doi.org/10.1038/nmat3035	journal	June 2011
Anomalous Lattice Dynamics near the Ferroelectric Instability in PbTe Zhang, Yi; Ke, Xuezhi; Kent, Paul R. C. Physical Review Letters, Vol. 107, Issue 17 https://doi.org/10.1103/PhysRevLett.107.175503	journal	October 2011
Inelastic x-ray scattering measurements of phonon dispersion and lifetimes in PbTe _{1− x} Se _x alloys Tian, Zhiting; Li, Mingda; Ren, Zhensong Journal of Physics: Condensed Matter, Vol. 27, Issue 37 https://doi.org/10.1088/0953-8984/27/37/375403	journal	September 2015
Intrinsic localized mode and low thermal conductivity of PbSe Shulumba, Nina; Hellman, Olle; Minnich, Austin J. Physical Review B, Vol. 95, Issue 1 https://doi.org/10.1103/PhysRevB.95.014302	journal	January 2017
The intrinsic low lattice thermal conductivity in the rock salt SnSe Xie, Yun; Zhou, Yang; Gong, Xin-Gao Computational Materials Science, Vol. 148 https://doi.org/10.1016/j.commatsci.2018.01.045	journal	June 2018
Thermal conductivity of fully filled skutterudites: Role of the filler Li, Wu; Mingo, Natalio Physical Review B, Vol. 89, Issue 18 https://doi.org/10.1103/PhysRevB.89.184304	journal	May 2014
Ultralow lattice thermal conductivity of the fully filled skutterudite ${YbFe}_{4} {Sb}_{12}$ due to the flat avoided-crossing filler modes Li, Wu; Mingo, Natalio Physical Review B, Vol. 91, Issue 14 https://doi.org/10.1103/PhysRevB.91.144304	journal	April 2015
Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study Tadano, Terumasa; Gohda, Yoshihiro; Tsuneyuki, Shinji Physical Review Letters, Vol. 114, Issue 9 https://doi.org/10.1103/PhysRevLett.114.095501	journal	March 2015
Understanding lattice thermal conductivity in thermoelectric clathrates: A density functional theory study on binary Si-based type-I clathrates Euchner, Holger; Pailhès, Stéphane; Giordano, Valentina M. Physical Review B, Vol. 97, Issue 1 https://doi.org/10.1103/PhysRevB.97.014304	journal	January 2018
Revisit to the Impacts of Rattlers on Thermal Conductivity of Clathrates Chen, Cuncun; Zhang, Zhongwei; Chen, Jie Frontiers in Energy Research, Vol. 6 https://doi.org/10.3389/fenrg.2018.00034	journal	May 2018
Phonon thermal conductivity of scandium nitride for thermoelectrics from first-principles calculations and thin-film growth Kerdsongpanya, Sit; Hellman, Olle; Sun, Bo Physical Review B, Vol. 96, Issue 19 https://doi.org/10.1103/PhysRevB.96.195417	journal	November 2017
First-Principles Calculations of Thermoelectric Properties of IV–VI Chalcogenides 2D Materials Morales-Ferreiro, J. O.; Diaz-Droguett, D. E.; Celentano, D. Frontiers in Mechanical Engineering, Vol. 3 https://doi.org/10.3389/fmech.2017.00015	journal	December 2017
Intrinsic low thermal conductivity in weakly ionic rocksalt structures Zhang, Yi; Dong, Jianjun; Kent, Paul R. C. Physical Review B, Vol. 92, Issue 2 https://doi.org/10.1103/PhysRevB.92.020301	journal	July 2015
First-principles study on lattice thermal conductivity of thermoelectrics HgTe in different phases Ouyang, Tao; Hu, Ming Journal of Applied Physics, Vol. 117, Issue 24 https://doi.org/10.1063/1.4922978	journal	June 2015
Lattice dynamics and thermal conductivity of calcium fluoride via first-principles investigation Qi, Yuan-Yuan; Zhang, Tian; Cheng, Yan Journal of Applied Physics, Vol. 119, Issue 9 https://doi.org/10.1063/1.4942841	journal	March 2016
Ultralow lattice thermal conductivity in topological insulator TlBiSe ₂ Ding, Guangqian; Carrete, Jesús; Li, Wu Applied Physics Letters, Vol. 108, Issue 23 https://doi.org/10.1063/1.4953588	journal	June 2016
Collective-Goldstone-mode-induced ultralow lattice thermal conductivity in Sn-filled skutterudite ${SnFe}_{4} {Sb}_{12}$ Fu, Yuhao; He, Xin; Zhang, Lijun Physical Review B, Vol. 97, Issue 2 https://doi.org/10.1103/PhysRevB.97.024301	journal	January 2018
Influence of the optical-acoustic phonon hybridization on phonon scattering and thermal conductivity Li, Wu; Carrete, Jesús; Madsen, Georg K. H. Physical Review B, Vol. 93, Issue 20 https://doi.org/10.1103/PhysRevB.93.205203	journal	May 2016
Intrinsic ultralow lattice thermal conductivity of the unfilled skutterudite ${FeSb}_{3}$ Fu, Yuhao; Singh, David J.; Li, Wu Physical Review B, Vol. 94, Issue 7 https://doi.org/10.1103/PhysRevB.94.075122	journal	August 2016
Low phonon conductivity of layered BiCuOS, BiCuOSe, and BiCuOTe from first principles Ji, Hyo Seok; Togo, Atsushi; Kaviany, Massoud Physical Review B, Vol. 94, Issue 11 https://doi.org/10.1103/PhysRevB.94.115203	journal	September 2016
High thermopower and ultra low thermal conductivity in Cd-based Zintl phase compounds Pandey, Tribhuwan; Singh, Abhishek K. Physical Chemistry Chemical Physics, Vol. 17, Issue 26 https://doi.org/10.1039/C5CP02344K	journal	January 2015
Lattice thermal conductivity in β-Ga2O3 from first principles Santia, Marco D.; Tandon, Nandan; Albrecht, J. D. Applied Physics Letters, Vol. 107, Issue 4 https://doi.org/10.1063/1.4927742	journal	July 2015
Optic phonons and anisotropic thermal conductivity in hexagonal Ge2Sb2Te5 Mukhopadhyay, Saikat; Lindsay, Lucas; Singh, David J. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep37076	journal	November 2016
Effects of functional group mass variance on vibrational properties and thermal transport in graphene Lindsay, L.; Kuang, Y. Physical Review B, Vol. 95, Issue 12 https://doi.org/10.1103/PhysRevB.95.121404	journal	March 2017
Two-Dimensional Phonon Transport in Supported Graphene Seol, J. H.; Jo, I.; Moore, A. L. Science, Vol. 328, Issue 5975 https://doi.org/10.1126/science.1184014	journal	April 2010
Flexural phonons and thermal transport in graphene Lindsay, L.; Broido, D. A.; Mingo, Natalio Physical Review B, Vol. 82, Issue 11 https://doi.org/10.1103/PhysRevB.82.115427	journal	September 2010
Superior Thermal Conductivity of Single-Layer Graphene Balandin, Alexander A.; Ghosh, Suchismita; Bao, Wenzhong Nano Letters, Vol. 8, Issue 3, p. 902-907 https://doi.org/10.1021/nl0731872	journal	March 2008
Thermal Transport in Suspended and Supported Monolayer Graphene Grown by Chemical Vapor Deposition Cai, Weiwei; Moore, Arden L.; Zhu, Yanwu Nano Letters, Vol. 10, Issue 5, p. 1645-1651 https://doi.org/10.1021/nl9041966	journal	May 2010
Thermal conductivity of suspended pristine graphene measured by Raman spectroscopy Lee, Jae-Ung; Yoon, Duhee; Kim, Hakseong Physical Review B, Vol. 83, Issue 8 https://doi.org/10.1103/PhysRevB.83.081419	journal	February 2011
Thermal conductivity of isotopically modified graphene Chen, Shanshan; Wu, Qingzhi; Mishra, Columbia Nature Materials, Vol. 11, Issue 3 https://doi.org/10.1038/nmat3207	journal	January 2012
Hydrodynamic phonon transport in suspended graphene Lee, Sangyeop; Broido, David; Esfarjani, Keivan Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7290	journal	February 2015
Phonon hydrodynamics in two-dimensional materials Cepellotti, Andrea; Fugallo, Giorgia; Paulatto, Lorenzo Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7400	journal	March 2015
Acoustic Phonon Lifetimes and Thermal Transport in Free-Standing and Strained Graphene Bonini, Nicola; Garg, Jivtesh; Marzari, Nicola Nano Letters, Vol. 12, Issue 6, p. 2673-2678 https://doi.org/10.1021/nl202694m	journal	May 2012
How to characterize thermal transport capability of 2D materials fairly? – Sheet thermal conductance and the choice of thickness Wu, Xufei; Varshney, Vikas; Lee, Jonghoon Chemical Physics Letters, Vol. 669 https://doi.org/10.1016/j.cplett.2016.12.054	journal	February 2017
Length-dependent thermal conductivity in suspended single-layer graphene Xu, Xiangfan; Pereira, Luiz F. C.; Wang, Yu Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4689	journal	April 2014
Coexistence of size-dependent and size-independent thermal conductivities in phosphorene Zhu, Liyan; Zhang, Gang; Li, Baowen Physical Review B, Vol. 90, Issue 21 https://doi.org/10.1103/PhysRevB.90.214302	journal	December 2014
Thermal conductivity and phonon linewidths of monolayer MoS ₂ from first principles Li, Wu; Carrete, J.; Mingo, Natalio Applied Physics Letters, Vol. 103, Issue 25 https://doi.org/10.1063/1.4850995	journal	December 2013
Thermal conductivity of bulk and monolayer MoS ₂ Gandi, Appala Naidu; Schwingenschlögl, Udo EPL (Europhysics Letters), Vol. 113, Issue 3 https://doi.org/10.1209/0295-5075/113/36002	journal	February 2016
First-Principles Determination of Ultralow Thermal Conductivity of monolayer WSe2 Zhou, Wu-Xing; Chen, Ke-Qiu Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep15070	journal	October 2015
Strong anisotropic thermal conductivity of monolayer WTe ₂ Ma, Jinlong; Chen, Yani; Han, Zheng 2D Materials, Vol. 3, Issue 4 https://doi.org/10.1088/2053-1583/3/4/045010	journal	October 2016
Strongly anisotropic in-plane thermal transport in single-layer black phosphorene Jain, Ankit; McGaughey, Alan J. H. Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep08501	journal	February 2015
Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles Qin, Guangzhao; Yan, Qing-Bo; Qin, Zhenzhen Physical Chemistry Chemical Physics, Vol. 17, Issue 7 https://doi.org/10.1039/C4CP04858J	journal	January 2015
First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene Gu, Xiaokun; Yang, Ronggui Journal of Applied Physics, Vol. 117, Issue 2 https://doi.org/10.1063/1.4905540	journal	January 2015
Pd ₂ Se ₃ Monolayer: A Promising Two-Dimensional Thermoelectric Material with Ultralow Lattice Thermal Conductivity and High Power Factor Naghavi, S. Shahab; He, Jiangang; Xia, Yi Chemistry of Materials, Vol. 30, Issue 16 https://doi.org/10.1021/acs.chemmater.8b01914	journal	July 2018
Thermal transport in monolayer InSe Nissimagoudar, Arun S.; Ma, Jinlong; Chen, Yani Journal of Physics: Condensed Matter, Vol. 29, Issue 33 https://doi.org/10.1088/1361-648X/aa7b63	journal	July 2017
Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas Nanotechnology, Vol. 28, Issue 45 https://doi.org/10.1088/1361-6528/aa8b39	journal	October 2017
Thermoelectric Performance of the MXenes M ₂ CO ₂ (M = Ti, Zr, or Hf) Gandi, Appala Naidu; Alshareef, Husam N.; Schwingenschlögl, Udo Chemistry of Materials, Vol. 28, Issue 6 https://doi.org/10.1021/acs.chemmater.5b04257	journal	February 2016
Thermal response in van der Waals heterostructures Gandi, Appala Naidu; Alshareef, Husam N.; Schwingenschlögl, Udo Journal of Physics: Condensed Matter, Vol. 29, Issue 3 https://doi.org/10.1088/1361-648X/29/3/035504	journal	November 2016
Physically founded phonon dispersions of few-layer materials and the case of borophene Carrete, Jesús; Li, Wu; Lindsay, Lucas Materials Research Letters, Vol. 4, Issue 4 https://doi.org/10.1080/21663831.2016.1174163	journal	April 2016
Lattice thermal conductivity of borophene from first principle calculation Xiao, Huaping; Cao, Wei; Ouyang, Tao Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep45986	journal	April 2017
Anisotropic intrinsic lattice thermal conductivity of borophane from first-principles calculations Liu, Gang; Wang, Haifeng; Gao, Yan Physical Chemistry Chemical Physics, Vol. 19, Issue 4 https://doi.org/10.1039/C6CP07367K	journal	January 2017
Diameter Dependence of Lattice Thermal Conductivity of Single-Walled Carbon Nanotubes: Study from Ab Initio Yue, Sheng-Ying; Ouyang, Tao; Hu, Ming Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep15440	journal	October 2015
Phonon coupling and transport in individual polyethylene chains: a comparison study with the bulk crystal Wang, Xinjiang; Kaviany, Massoud; Huang, Baoling Nanoscale, Vol. 9, Issue 45 https://doi.org/10.1039/C7NR06216H	journal	January 2017
Thermal Transport in Quasi-1D van der Waals Crystal Ta ₂ Pd ₃ Se ₈ Nanowires: Size and Length Dependence Zhang, Qian; Liu, Chenhan; Liu, Xue ACS Nano, Vol. 12, Issue 3 https://doi.org/10.1021/acsnano.7b08718	journal	February 2018
Symmetry-driven phonon chirality and transport in one-dimensional and bulk $B a_{3} N$ -derived materials Pandey, Tribhuwan; Polanco, Carlos A.; Cooper, Valentino R. Physical Review B, Vol. 98, Issue 24 https://doi.org/10.1103/PhysRevB.98.241405	journal	December 2018
Lattice thermal conductivity of single-walled carbon nanotubes: Beyond the relaxation time approximation and phonon-phonon scattering selection rules Lindsay, L.; Broido, D. A.; Mingo, Natalio Physical Review B, Vol. 80, Issue 12 https://doi.org/10.1103/PhysRevB.80.125407	journal	September 2009
Phonon wave interference and thermal bandgap materials Maldovan, Martin Nature Materials, Vol. 14, Issue 7 https://doi.org/10.1038/nmat4308	journal	June 2015
High Thermal Conductivity in Short-Period Superlattices Garg, Jivtesh; Bonini, Nicola; Marzari, Nicola Nano Letters, Vol. 11, Issue 12, p. 5135-5141 https://doi.org/10.1021/nl202186y	journal	December 2011
Minimum thermal conductivity in superlattices: A first-principles formalism Garg, Jivtesh; Chen, Gang Physical Review B, Vol. 87, Issue 14 https://doi.org/10.1103/PhysRevB.87.140302	journal	April 2013
Thermal transport through Ge-rich Ge/Si superlattices grown on Ge(0 0 1) Thumfart, L.; Carrete, J.; Vermeersch, B. Journal of Physics D: Applied Physics, Vol. 51, Issue 1 https://doi.org/10.1088/1361-6463/aa98c5	journal	January 2018
Coherent Phonon Heat Conduction in Superlattices Luckyanova, M. N.; Garg, J.; Esfarjani, K. Science, Vol. 338, Issue 6109 https://doi.org/10.1126/science.1225549	journal	November 2012
Anisotropy of the Thermal Conductivity in GaAs/AlAs Superlattices Luckyanova, Maria N.; Johnson, Jeremy A.; Maznev, A. A. Nano Letters, Vol. 13, Issue 9 https://doi.org/10.1021/nl4001162	journal	August 2013
Predictive Design and Experimental Realization of InAs/GaAs Superlattices with Tailored Thermal Conductivity Carrete, J.; Vermeersch, B.; Thumfart, L. The Journal of Physical Chemistry C, Vol. 122, Issue 7 https://doi.org/10.1021/acs.jpcc.7b11133	journal	February 2018
Phonon transport in periodic silicon nanoporous films with feature sizes greater than 100 nm Jain, Ankit; Yu, Ying-Ju; McGaughey, Alan J. H. Physical Review B, Vol. 87, Issue 19 https://doi.org/10.1103/PhysRevB.87.195301	journal	May 2013
Temperature-dependent thermal conductivity in silicon nanostructured materials studied by the Boltzmann transport equation Romano, Giuseppe; Esfarjani, Keivan; Strubbe, David A. Physical Review B, Vol. 93, Issue 3 https://doi.org/10.1103/PhysRevB.93.035408	journal	January 2016
Spectral mapping of thermal conductivity through nanoscale ballistic transport Hu, Yongjie; Zeng, Lingping; Minnich, Austin J. Nature Nanotechnology, Vol. 10, Issue 8 https://doi.org/10.1038/nnano.2015.109	journal	June 2015
Thermal conductivity of diamond nanowires from first principles Li, Wu; Mingo, Natalio; Lindsay, L. Physical Review B, Vol. 85, Issue 19 https://doi.org/10.1103/PhysRevB.85.195436	journal	May 2012
Isotope scattering of large-wave-vector phonons in GaAs and InSb: Deformation-dipole and overlap-shell models Tamura, Shin-ichiro Physical Review B, Vol. 30, Issue 2 https://doi.org/10.1103/PhysRevB.30.849	journal	July 1984
Phonon-isotope scattering and thermal conductivity in materials with a large isotope effect: A first-principles study Lindsay, L.; Broido, D. A.; Reinecke, T. L. Physical Review B, Vol. 88, Issue 14 https://doi.org/10.1103/PhysRevB.88.144306	journal	October 2013
Thermal diffusivity of isotopically enriched ${}^{12}C$ diamond Anthony, T. R.; Banholzer, W. F.; Fleischer, J. F. Physical Review B, Vol. 42, Issue 2 https://doi.org/10.1103/PhysRevB.42.1104	journal	July 1990
Ab initio phonon point defect scattering and thermal transport in graphene Polanco, Carlos A.; Lindsay, Lucas Physical Review B, Vol. 97, Issue 1 https://doi.org/10.1103/PhysRevB.97.014303	journal	January 2018
Thermal conductivity of InN with point defects from first principles Polanco, Carlos A.; Lindsay, Lucas Physical Review B, Vol. 98, Issue 1 https://doi.org/10.1103/PhysRevB.98.014306	journal	July 2018
Cluster scattering effects on phonon conduction in graphene Mingo, Natalio; Esfarjani, K.; Broido, D. A. Physical Review B, Vol. 81, Issue 4 https://doi.org/10.1103/PhysRevB.81.045408	journal	January 2010
Influence of point defects on the thermal conductivity in FeSi Stern, Robin; Wang, Tao; Carrete, Jesús Physical Review B, Vol. 97, Issue 19 https://doi.org/10.1103/PhysRevB.97.195201	journal	May 2018
Ab initio phonon scattering by dislocations Wang, Tao; Carrete, Jesús; van Roekeghem, Ambroise Physical Review B, Vol. 95, Issue 24 https://doi.org/10.1103/PhysRevB.95.245304	journal	June 2017
Optimizing the Interfacial Thermal Conductance at Gold–Alkane Junctions From “First Principles” Zhang, Jingjie; Polanco, Carlos A.; Ghosh, Avik W. Journal of Heat Transfer, Vol. 140, Issue 9 https://doi.org/10.1115/1.4040144	journal	May 2018
Electron-phonon coupling and thermal conductance at a metal-semiconductor interface: First-principles analysis Sadasivam, Sridhar; Waghmare, Umesh V.; Fisher, Timothy S. Journal of Applied Physics, Vol. 117, Issue 13 https://doi.org/10.1063/1.4916729	journal	April 2015
Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations Sadasivam, Sridhar; Ye, Ning; Feser, Joseph P. Physical Review B, Vol. 95, Issue 8 https://doi.org/10.1103/PhysRevB.95.085310	journal	February 2017
Lattice thermal transport in group II-alloyed PbTe Xia, Yi; Hodges, James M.; Kanatzidis, Mercouri G. Applied Physics Letters, Vol. 112, Issue 18 https://doi.org/10.1063/1.5002587	journal	April 2018
Calculated transport properties of CdO: Thermal conductivity and thermoelectric power factor Lindsay, L.; Parker, D. S. Physical Review B, Vol. 92, Issue 14 https://doi.org/10.1103/PhysRevB.92.144301	journal	October 2015
Rhombohedral to Cubic Conversion of GeTe via MnTe Alloying Leads to Ultralow Thermal Conductivity, Electronic Band Convergence, and High Thermoelectric Performance Zheng, Zheng; Su, Xianli; Deng, Rigui Journal of the American Chemical Society, Vol. 140, Issue 7 https://doi.org/10.1021/jacs.7b13611	journal	February 2018
Role of light and heavy embedded nanoparticles on the thermal conductivity of SiGe alloys Kundu, A.; Mingo, N.; Broido, D. A. Physical Review B, Vol. 84, Issue 12 https://doi.org/10.1103/PhysRevB.84.125426	journal	September 2011
First-principles quantitative prediction of the lattice thermal conductivity in random semiconductor alloys: The role of force-constant disorder Arrigoni, Marco; Carrete, Jesús; Mingo, Natalio Physical Review B, Vol. 98, Issue 11 https://doi.org/10.1103/PhysRevB.98.115205	journal	September 2018
Phonons in Bi $_{2}$ S $_{3}$ nanostructures: Raman scattering and first-principles studies Zhao, Yanyuan; Chua, Kun Ting Eddie; Gan, Chee Kwan Physical Review B, Vol. 84, Issue 20 https://doi.org/10.1103/PhysRevB.84.205330	journal	November 2011
First-principles Raman spectra of MoS2, WS2 and their heterostructures Liang, Liangbo; Meunier, Vincent Nanoscale, Vol. 6, Issue 10 https://doi.org/10.1039/c3nr06906k	journal	January 2014
Raman Spectrum of the Organic–Inorganic Halide Perovskite CH ₃ NH ₃ PbI ₃ from First Principles and High-Resolution Low-Temperature Raman Measurements Pérez-Osorio, Miguel A.; Lin, Qianqian; Phillips, Richard T. The Journal of Physical Chemistry C, Vol. 122, Issue 38 https://doi.org/10.1021/acs.jpcc.8b04669	journal	August 2018
Two-channel model for ultralow thermal conductivity of crystalline Tl ₃ VSe ₄ Mukhopadhyay, Saikat; Parker, David S.; Sales, Brian C. Science, Vol. 360, Issue 6396 https://doi.org/10.1126/science.aar8072	journal	June 2018
Thermal Conductivity of Monolayer Molybdenum Disulfide Obtained from Temperature-Dependent Raman Spectroscopy Yan, Rusen; Simpson, Jeffrey R.; Bertolazzi, Simone ACS Nano, Vol. 8, Issue 1 https://doi.org/10.1021/nn405826k	journal	December 2013
Phonon Lifetime Investigation of Anharmonicity and Thermal Conductivity of ${UO}_{2}$ by Neutron Scattering and Theory Pang, Judy W. L.; Buyers, William J. L.; Chernatynskiy, Aleksandr Physical Review Letters, Vol. 110, Issue 15 https://doi.org/10.1103/PhysRevLett.110.157401	journal	April 2013
Phase-controlled, heterodyne laser-induced transient grating measurements of thermal transport properties in opaque material Johnson, Jeremy A.; Maznev, Alexei A.; Bulsara, Mayank T. Journal of Applied Physics, Vol. 111, Issue 2 https://doi.org/10.1063/1.3675467	journal	January 2012
Phonon and electron transport through Ge ₂ Sb ₂ Te ₅ films and interfaces bounded by metals Lee, Jaeho; Bozorg-Grayeli, Elah; Kim, SangBum Applied Physics Letters, Vol. 102, Issue 19 https://doi.org/10.1063/1.4807141	journal	May 2013
Thermal boundary conductance accumulation and interfacial phonon transmission: Measurements and theory Cheaito, Ramez; Gaskins, John T.; Caplan, Matthew E. Physical Review B, Vol. 91, Issue 3 https://doi.org/10.1103/PhysRevB.91.035432	journal	January 2015
Anisotropic failure of Fourier theory in time-domain thermoreflectance experiments Wilson, R. B.; Cahill, David G. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6075	journal	October 2014
Probing anisotropic heat transport using time-domain thermoreflectance with offset laser spots Feser, Joseph P.; Cahill, David G. Review of Scientific Instruments, Vol. 83, Issue 10 https://doi.org/10.1063/1.4757863	journal	October 2012
Simultaneous measurement of in-plane and through-plane thermal conductivity using beam-offset frequency domain thermoreflectance Rodin, David; Yee, Shannon K. Review of Scientific Instruments, Vol. 88, Issue 1 https://doi.org/10.1063/1.4973297	journal	January 2017
Accurate measurements of cross-plane thermal conductivity of thin films by dual-frequency time-domain thermoreflectance (TDTR) Jiang, Puqing; Huang, Bin; Koh, Yee Kan Review of Scientific Instruments, Vol. 87, Issue 7 https://doi.org/10.1063/1.4954969	journal	July 2016
Thermal Conductivity of Nanocrystalline Silicon: Importance of Grain Size and Frequency-Dependent Mean Free Paths Wang, Zhaojie; Alaniz, Joseph E.; Jang, Wanyoung Nano Letters, Vol. 11, Issue 6 https://doi.org/10.1021/nl1045395	journal	June 2011
Microscale Heat Conduction in Dielectric Thin Films Majumdar, A. Journal of Heat Transfer, Vol. 115, Issue 1 https://doi.org/10.1115/1.2910673	journal	February 1993
Direct Measurement of Room-Temperature Nondiffusive Thermal Transport Over Micron Distances in a Silicon Membrane Johnson, Jeremy A.; Maznev, A. A.; Cuffe, John Physical Review Letters, Vol. 110, Issue 2 https://doi.org/10.1103/PhysRevLett.110.025901	journal	January 2013
Frequency dependence of the thermal conductivity of semiconductor alloys Koh, Yee Kan; Cahill, David G. Physical Review B, Vol. 76, Issue 7 https://doi.org/10.1103/PhysRevB.76.075207	journal	August 2007
Thermal Conductivity Spectroscopy Technique to Measure Phonon Mean Free Paths Minnich, A. J.; Johnson, J. A.; Schmidt, A. J. Physical Review Letters, Vol. 107, Issue 9 https://doi.org/10.1103/PhysRevLett.107.095901	journal	August 2011
Mean Free Path Effects on the Experimentally Measured Thermal Conductivity of Single-Crystal Silicon Microbridges English, Timothy S.; Phinney, Leslie M.; Hopkins, Patrick E. Journal of Heat Transfer, Vol. 135, Issue 9 https://doi.org/10.1115/1.4024357	journal	July 2013
Radial quasiballistic transport in time-domain thermoreflectance studied using Monte Carlo simulations Ding, D.; Chen, X.; Minnich, A. J. Applied Physics Letters, Vol. 104, Issue 14 https://doi.org/10.1063/1.4870811	journal	April 2014
Broadband phonon mean free path contributions to thermal conductivity measured using frequency domain thermoreflectance Regner, Keith T.; Sellan, Daniel P.; Su, Zonghui Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms2630	journal	March 2013
Experimental metrology to obtain thermal phonon transmission coefficients at solid interfaces Hua, Chengyun; Chen, Xiangwen; Ravichandran, Navaneetha K. Physical Review B, Vol. 95, Issue 20 https://doi.org/10.1103/PhysRevB.95.205423	journal	May 2017
Ballistic-phonon heat conduction at the nanoscale as revealed by time-resolved x-ray diffraction and time-domain thermoreflectance Highland, M.; Gundrum, B. C.; Koh, Yee Kan Physical Review B, Vol. 76, Issue 7 https://doi.org/10.1103/PhysRevB.76.075337	journal	August 2007
Quasi-ballistic thermal transport from nanoscale interfaces observed using ultrafast coherent soft X-ray beams Siemens, Mark E.; Li, Qing; Yang, Ronggui Nature Materials, Vol. 9, Issue 1 https://doi.org/10.1038/nmat2568	journal	November 2009
Length Dependent Thermal Conductivity Measurements Yield Phonon Mean Free Path Spectra in Nanostructures Zhang, Hang; Hua, Chengyun; Ding, Ding Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep09121	journal	March 2015
A new regime of nanoscale thermal transport: Collective diffusion increases dissipation efficiency Hoogeboom-Pot, Kathleen M.; Hernandez-Charpak, Jorge N.; Gu, Xiaokun Proceedings of the National Academy of Sciences, Vol. 112, Issue 16 https://doi.org/10.1073/pnas.1503449112	journal	March 2015
Reconstructing phonon mean-free-path contributions to thermal conductivity using nanoscale membranes Cuffe, John; Eliason, Jeffrey K.; Maznev, A. A. Physical Review B, Vol. 91, Issue 24 https://doi.org/10.1103/PhysRevB.91.245423	journal	June 2015
Determining Phonon Mean Free Paths from Observations of Quasiballistic Thermal Transport Minnich, A. J. Physical Review Letters, Vol. 109, Issue 20 https://doi.org/10.1103/PhysRevLett.109.205901	journal	November 2012
First Principles Peierls-Boltzmann Phonon Thermal Transport: A Topical Review Lindsay, Lucas Nanoscale and Microscale Thermophysical Engineering, Vol. 20, Issue 2 https://doi.org/10.1080/15567265.2016.1218576	journal	April 2016
Direct Solution to the Linearized Phonon Boltzmann Equation Chaput, Laurent Physical Review Letters, Vol. 110, Issue 26 https://doi.org/10.1103/PhysRevLett.110.265506	journal	June 2013
Deviational simulation of phonon transport in graphene ribbons with ab initio scattering Landon, Colin D.; Hadjiconstantinou, Nicolas G. Journal of Applied Physics, Vol. 116, Issue 16 https://doi.org/10.1063/1.4898090	journal	October 2014
Thermal conductivity of disordered harmonic solids Allen, Philip B.; Feldman, Joseph L. Physical Review B, Vol. 48, Issue 17 https://doi.org/10.1103/PhysRevB.48.12581	journal	November 1993
Diffusons, locons and propagons: Character of atomie yibrations in amorphous Si Allen, Philip B.; Feldman, Joseph L.; Fabian, Jaroslav Philosophical Magazine B, Vol. 79, Issue 11-12 https://doi.org/10.1080/13642819908223054	journal	November 1999
A method for distinguishing between propagons, diffusions, and locons Seyf, Hamid Reza; Henry, Asegun Journal of Applied Physics, Vol. 120, Issue 2 https://doi.org/10.1063/1.4955420	journal	July 2016
Twisting phonons in complex crystals with quasi-one-dimensional substructures Chen, Xi; Weathers, Annie; Carrete, Jesús Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7723	journal	April 2015
Thermal Conductivity, Second Sound, and Phonon Hydrodynamic Phenomena in Nonmetallic Crystals Guyer, R. A.; Krumhansl, J. A. Physical Review, Vol. 148, Issue 2 https://doi.org/10.1103/PhysRev.148.778	journal	August 1966
Solution of the Linearized Phonon Boltzmann Equation Guyer, R. A.; Krumhansl, J. A. Physical Review, Vol. 148, Issue 2 https://doi.org/10.1103/PhysRev.148.766	journal	August 1966
Thermal Conductivity of Perfect Dielectric Crystals in the Absence of Umklapp Processes Sussmann, J. A.; Thellung, A. Proceedings of the Physical Society, Vol. 81, Issue 6 https://doi.org/10.1088/0370-1328/81/6/318	journal	June 1963
Observation of Second Sound in Bismuth Narayanamurti, V.; Dynes, R. C. Physical Review Letters, Vol. 28, Issue 22 https://doi.org/10.1103/PhysRevLett.28.1461	journal	May 1972
Thermal Conductivity, Second Sound, and Phonon-Phonon Interactions in NaF Jackson, Howard E.; Walker, Charles T. Physical Review B, Vol. 3, Issue 4 https://doi.org/10.1103/PhysRevB.3.1428	journal	February 1971
Second Sound in Solid Helium-3 Ackerman, C. C.; Overton, W. C. Physical Review Letters, Vol. 22, Issue 15 https://doi.org/10.1103/PhysRevLett.22.764	journal	April 1969
Hydrodynamic phonon drift and second sound in a (20,20) single-wall carbon nanotube Lee, Sangyeop; Lindsay, Lucas Physical Review B, Vol. 95, Issue 18 https://doi.org/10.1103/PhysRevB.95.184304	journal	May 2017
Phonon Hydrodynamic Heat Conduction and Knudsen Minimum in Graphite Ding, Zhiwei; Zhou, Jiawei; Song, Bai Nano Letters, Vol. 18, Issue 1 https://doi.org/10.1021/acs.nanolett.7b04932	journal	December 2017
Role of hydrodynamic viscosity on phonon transport in suspended graphene Li, Xun; Lee, Sangyeop Physical Review B, Vol. 97, Issue 9 https://doi.org/10.1103/PhysRevB.97.094309	journal	March 2018
Efficient simulation of multidimensional phonon transport using energy-based variance-reduced Monte Carlo formulations Péraud, Jean-Philippe M.; Hadjiconstantinou, Nicolas G. Physical Review B, Vol. 84, Issue 20 https://doi.org/10.1103/PhysRevB.84.205331	journal	November 2011
Frequency-dependent Monte Carlo simulations of phonon transport in two-dimensional porous silicon with aligned pores Hao, Qing; Chen, Gang; Jeng, Ming-Shan Journal of Applied Physics, Vol. 106, Issue 11 https://doi.org/10.1063/1.3266169	journal	December 2009
Thermal Conductivity of MgO Periclase from Equilibrium First Principles Molecular Dynamics de Koker, Nico Physical Review Letters, Vol. 103, Issue 12 https://doi.org/10.1103/PhysRevLett.103.125902	journal	September 2009
Impact of Impurities on the Thermal Conductivity of Semiconductor Nanostructures: First-Principles Theory Gibbons, T. M.; Estreicher, S. K. Physical Review Letters, Vol. 102, Issue 25 https://doi.org/10.1103/PhysRevLett.102.255502	journal	June 2009
Ultralow thermal conductivity of $β$ -Cu2Se by atomic fluidity and structure distortion Kim, Hyoungchul; Ballikaya, Sedat; Chi, Hang Acta Materialia, Vol. 86 https://doi.org/10.1016/j.actamat.2014.12.008	journal	March 2015
New empirical model for the structural properties of silicon Tersoff, J. Physical Review Letters, Vol. 56, Issue 6 https://doi.org/10.1103/PhysRevLett.56.632	journal	February 1986
Molecular dynamics simulations of lattice thermal conductivity of bismuth telluride using two-body interatomic potentials Qiu, Bo; Ruan, Xiulin Physical Review B, Vol. 80, Issue 16 https://doi.org/10.1103/PhysRevB.80.165203	journal	October 2009
Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene Lindsay, L.; Broido, D. A. Physical Review B, Vol. 81, Issue 20 https://doi.org/10.1103/PhysRevB.81.205441	journal	May 2010
Empirical interatomic potentials optimized for phonon properties Rohskopf, Andrew; Seyf, Hamid R.; Gordiz, Kiarash npj Computational Materials, Vol. 3, Issue 1 https://doi.org/10.1038/s41524-017-0026-y	journal	July 2017

Cited By (15)

Verification of the phonon relaxation time approximation by probing the relaxation process of a single excited mode Hori, Takuma Physical Review B, Vol. 100, Issue 21 https://doi.org/10.1103/physrevb.100.214116	journal	December 2019
Characterization of rattling in relation to thermal conductivity: Ordered half-Heusler semiconductors Feng, Zhenzhen; Fu, Yuhao; Zhang, Yongsheng Physical Review B, Vol. 101, Issue 6 https://doi.org/10.1103/physrevb.101.064301	journal	February 2020
First-principles Modeling of Thermal Transport in Materials: Achievements, Opportunities, and Challenges Ma, Tengfei; Chakraborty, Pranay; Guo, Xixi International Journal of Thermophysics, Vol. 41, Issue 1 https://doi.org/10.1007/s10765-019-2583-4	journal	December 2019
First Principles Investigation of Anomalous Pressure-Dependent Thermal Conductivity of Chalcopyrites Elalfy, Loay; Music, Denis; Hu, Ming Materials, Vol. 12, Issue 21 https://doi.org/10.3390/ma12213491	journal	October 2019
Perspective on ab initio phonon thermal transport Lindsay, Lucas; Katre, Ankita; Cepellotti, Andrea Journal of Applied Physics, Vol. 126, Issue 5 https://doi.org/10.1063/1.5108651	journal	August 2019
Effect of boron sources on the growth of boron arsenide single crystals by chemical vapor transport Gamage, Geethal Amila; Sun, Haoran; Ziyaee, Hamidreza Applied Physics Letters, Vol. 115, Issue 9 https://doi.org/10.1063/1.5111732	journal	August 2019
Lattice dynamical properties of antiferromagnetic MnO, CoO, and NiO, and the lattice thermal conductivity of NiO Linnera, Jarno; Karttunen, Antti J. Physical Review B, Vol. 100, Issue 14 https://doi.org/10.1103/physrevb.100.144307	journal	October 2019
Thermodynamic calculation and its experimental correlation with the growth process of boron arsenide single crystals Ziyaee, Hamidreza; Gamage, Geethal Amila; Sun, Haoran Journal of Applied Physics, Vol. 126, Issue 15 https://doi.org/10.1063/1.5110890	journal	October 2019
Electronic structure as a guide in screening for potential thermoelectrics: Demonstration for half-Heusler compounds Feng, Zhenzhen; Fu, Yuhao; Putatunda, Aditya Physical Review B, Vol. 100, Issue 8 https://doi.org/10.1103/physrevb.100.085202	journal	August 2019
Review of high entropy ceramics: design, synthesis, structure and properties Zhang, Rui-Zhi; Reece, Michael J. Journal of Materials Chemistry A, Vol. 7, Issue 39 https://doi.org/10.1039/c9ta05698j	journal	January 2019
Emerging interface materials for electronics thermal management: experiments, modeling, and new opportunities Cui, Ying; Li, Man; Hu, Yongjie Journal of Materials Chemistry C, Vol. 8, Issue 31 https://doi.org/10.1039/c9tc05415d	journal	January 2020
Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline ${Tl}_{3} {VSe}_{4}$ Xia, Yi; Pal, Koushik; He, Jiangang Physical Review Letters, Vol. 124, Issue 6 https://doi.org/10.1103/physrevlett.124.065901	journal	February 2020
Ab initio investigation of single-layer high thermal conductivity boron compounds Fan, Hang; Wu, Huan; Lindsay, Lucas Physical Review B, Vol. 100, Issue 8 https://doi.org/10.1103/physrevb.100.085420	journal	August 2019
Machine-learning-based interatomic potential for phonon transport in perfect crystalline Si and crystalline Si with vacancies Babaei, Hasan; Guo, Ruiqiang; Hashemi, Amirreza Physical Review Materials, Vol. 3, Issue 7 https://doi.org/10.1103/physrevmaterials.3.074603	journal	July 2019
Characterization of rattling in relation to thermal conductivity: ordered half-Heusler semiconductors Feng, Zhenzhen; Fu, Yuhao; Zhang, Yongsheng arXiv https://doi.org/10.48550/arxiv.2001.08029	text	January 2020

Similar Records

Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

Journal Article · Tue Oct 17 00:00:00 EDT 2017 · Nanotechnology · OSTI ID:1490581

Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

Perspective on ab initio phonon thermal transport

Journal Article · Mon Aug 05 00:00:00 EDT 2019 · Journal of Applied Physics · OSTI ID:1490581

Lindsay, Lucas R.; Katre, Ankita; Cepellotti, Andrea; +1 more

Ab initio investigation of single-layer high thermal conductivity boron compounds

Journal Article · Wed Aug 14 00:00:00 EDT 2019 · Physical Review B · OSTI ID:1490581

Fan, Hang; Wu, Huan; Lindsay, Lucas; +1 more

Related Subjects

36 MATERIALS SCIENCE
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
Boltzmann equation
Density functional theory
Lattice conductivity

Title: Survey of ab initio phonon thermal transport

Citation Formats

References (251)

Cited By (15)

Similar Records

Related Subjects