Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline Tl3VSe4

Xia, Yi; Pal, Koushik; He, Jiangang; Ozoliņš, Vidvuds; Wolverton, Chris

doi:10.1103/PhysRevLett.124.065901

Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline ${Tl}_{3} {VSe}_{4}$

Journal Article · Fri Feb 14 00:00:00 EST 2020 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.124.065901· OSTI ID:1600480

^[1]; ^[2]; He, Jiangang ^[2]; Ozoliņš, Vidvuds ^[3]; Wolverton, Chris ^[2]

Northwestern Univ., Evanston, IL (United States); Northwestern University
Northwestern Univ., Evanston, IL (United States)
Yale Univ., New Haven, CT (United States)

We explore the microscopic mechanisms of ultralow lattice thermal conductivity ($$\kappa_{l}$$) in Tl$$_{3}$$VSe$$_{4}$$~by combining a first-principles density-functional theory (DFT) based framework of anharmonic lattice dynamics with the Peierls-Boltzmann transport equation (PBTE) for phonons. We include contributions of the three- and four-phonon scattering processes to the phonon lifetimes as well as the temperature-dependent anharmonic renormalization of phonon energies arising from an unusually strong quartic anharmonicity in Tl$$_{3}$$VSe$$_{4}$$. In contrast to a recent report by Mukhopadhyay~\etal [\textcolor{blue}{Science 360, 1455 (2018)}] which suggested that a significant contribution to $$\kappa_{l}$$ arises from random walks among uncorrelated oscillators, we show that particle-like propagation of phonon excitations can successfully explain the experimentally observed ultralow $$\kappa_{l}$$. Our results are also supported by explicit calculations of the off-diagonal terms of the heat-current operator, which are found to be small and indicate that wave-like tunneling of heat-carrying vibrations is of minor importance. Our results (i) resolve the discrepancy between the theoretical and experimental $$\kappa_{l}$$, (ii) offer new insights into the minimum $$\kappa_{l}$$ achievable in \TlVSe, and (iii) highlight the importance of high-order anharmonicity in low-$$\kappa_{l}$$ systems. The methodology demonstrated here may be used to resolve the discrepancies between the experimentally measured and the theoretically calculated $$\kappa_{l}$$ in skutterides and perovskites, as well as to understand the glasslike $$\kappa_{l}$$ in complex crystals with strong anharmonicity, leading towards the goal of rational design of new materials.

View Accepted Manuscript (DOE)

Research Organization:: Northwestern Univ., Evanston, IL (United States); Univ. of California, Berkeley, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231; SC0014520

OSTI ID:: 1600480

Alternate ID(s):: OSTI ID: 1778883
OSTI ID: 1599684

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 6 Vol. 124; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (98)

Elementare Betrachtungen über die thermische Molekularbewegung in festen Körpern Einstein, A. Annalen der Physik, Vol. 340, Issue 9 https://doi.org/10.1002/andp.19113400903	journal	January 1911
New and Old Concepts in Thermoelectric Materials Sootsman, Joseph R.; Chung, Duck Young; Kanatzidis, Mercouri G. Angewandte Chemie International Edition, Vol. 48, Issue 46, p. 8616-8639 https://doi.org/10.1002/anie.200900598	journal	November 2009
On the evaluation of phonon widths and shifts Maradudin, A. A.; Fein, A. E.; Vineyard, G. H. physica status solidi (b), Vol. 2, Issue 11 https://doi.org/10.1002/pssb.19620021106	journal	January 1962
Many-Particle Physics Mahan, Gerald D. Physics of Solids and Liquids (PSLI) https://doi.org/10.1007/978-1-4757-5714-9	book	January 2000
Thermoelectrics Nolas, George S.; Sharp, Jeffrey; Goldsmid, H. Julian Springer Series in Materials Science https://doi.org/10.1007/978-3-662-04569-5	book	January 2001
The rise of self-consistent phonon theory Klein, M. L.; Horton, G. K. Journal of Low Temperature Physics, Vol. 9, Issue 3-4 https://doi.org/10.1007/BF00654839	journal	November 1972
Heat flow and lattice vibrations in glasses Cahill, David G.; Pohl, R. O. Solid State Communications, Vol. 70, Issue 10 https://doi.org/10.1016/0038-1098(89)90630-3	journal	June 1989
Anharmonic processes in molecular crystals. Calculation of the anharmonic shifts, bandwidths and energy decay processes in crystalline naphthalene Della Valle, R. G.; Fracassi, P. F.; Righini, R. Chemical Physics, Vol. 74, Issue 2 https://doi.org/10.1016/0301-0104(83)80021-4	journal	January 1983
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
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
Note on the conduction of heat in crystals Casimir, H. B. G. Physica, Vol. 5, Issue 6 https://doi.org/10.1016/S0031-8914(38)80162-2	journal	June 1938
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
Survey of ab initio phonon thermal transport Lindsay, L.; Hua, C.; Ruan, X. L. Materials Today Physics, Vol. 7 https://doi.org/10.1016/j.mtphys.2018.11.008	journal	December 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
Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach Isaeva, Leyla; Barbalinardo, Giuseppe; Donadio, Davide Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-11572-4	journal	August 2019
Unified theory of thermal transport in crystals and glasses Simoncelli, Michele; Marzari, Nicola; Mauri, Francesco Nature Physics, Vol. 15, Issue 8 https://doi.org/10.1038/s41567-019-0520-x	journal	May 2019
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020
Non-negligible Contributions to Thermal Conductivity From Localized Modes in Amorphous Silicon Dioxide Lv, Wei; Henry, Asegun Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep35720	journal	October 2016
Minimum thermal conductivity in the context of diffuson -mediated thermal transport Agne, Matthias T.; Hanus, Riley; Snyder, G. Jeffrey Energy & Environmental Science, Vol. 11, Issue 3 https://doi.org/10.1039/C7EE03256K	journal	January 2018
Semiconducting Ge clathrates: Promising candidates for thermoelectric applications Nolas, G. S.; Cohn, J. L.; Slack, G. A. Applied Physics Letters, Vol. 73, Issue 2 https://doi.org/10.1063/1.121747	journal	July 1998
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 temperature properties of the filled skutterudite CeFe ₄ Sb ₁₂ Morelli, Donald T.; Meisner, Gregory P. Journal of Applied Physics, Vol. 77, Issue 8 https://doi.org/10.1063/1.358552	journal	April 1995
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
Phonon anharmonic frequency shift induced by four-phonon scattering calculated from first principles Feng, Tianli; Yang, Xiaolong; Ruan, Xiulin Journal of Applied Physics, Vol. 124, Issue 14 https://doi.org/10.1063/1.5048799	journal	October 2018
Phonon properties and thermal conductivity from first principles, lattice dynamics, and the Boltzmann transport equation McGaughey, Alan J. H.; Jain, Ankit; Kim, Hyun-Young Journal of Applied Physics, Vol. 125, Issue 1 https://doi.org/10.1063/1.5064602	journal	January 2019
Anharmonic effects and the lattice dynamics of insulators Clyde, H. R.; Klein, M. L. C R C Critical Reviews in Solid State Sciences, Vol. 2, Issue 2 https://doi.org/10.1080/10408437108243429	journal	August 1971
LI. A new treatment of anharmonicity in lattice thermodynamics: I Hooton, D. J. The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 46, Issue 375 https://doi.org/10.1080/14786440408520575	journal	April 1955
The one-phonon Green function and the dielectric properties of sodium chloride Cowley, E. R. Journal of Physics C: Solid State Physics, Vol. 5, Issue 12 https://doi.org/10.1088/0022-3719/5/12/014	journal	June 1972
Many-Particle Physics Dowker, J. S. Physics Bulletin, Vol. 33, Issue 3 https://doi.org/10.1088/0031-9112/33/3/038	journal	March 1982
Anharmonic crystals Cowley, R. A. Reports on Progress in Physics, Vol. 31, Issue 1 https://doi.org/10.1088/0034-4885/31/1/303	journal	January 1968
A mixed-space approach to first-principles calculations of phonon frequencies for polar materials Wang, Y.; Wang, J. J.; Wang, W. Y. Journal of Physics: Condensed Matter, Vol. 22, Issue 20 https://doi.org/10.1088/0953-8984/22/20/202201	journal	April 2010
Scattering of Neutrons by an Anharmonic Crystal Maradudin, A. A.; Fein, A. E. Physical Review, Vol. 128, Issue 6 https://doi.org/10.1103/PhysRev.128.2589	journal	December 1962
Energy-Flux Operator for a Lattice Hardy, Robert J. Physical Review, Vol. 132, Issue 1 https://doi.org/10.1103/PhysRev.132.168	journal	October 1963
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 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
Isotope scattering of dispersive phonons in Ge Tamura, Shin-ichiro Physical Review B, Vol. 27, Issue 2 https://doi.org/10.1103/PhysRevB.27.858	journal	January 1983
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
Ab initio calculation of the macroscopic dielectric constant in silicon Baroni, Stefano; Resta, Raffaele Physical Review B, Vol. 33, Issue 10 https://doi.org/10.1103/PhysRevB.33.7017	journal	May 1986
Thermal conductivity of amorphous solids Freeman, J. J.; Anderson, A. C. Physical Review B, Vol. 34, Issue 8 https://doi.org/10.1103/PhysRevB.34.5684	journal	October 1986
Anharmonic self-energies of phonons in silicon Narasimhan, Shobhana; Vanderbilt, David Physical Review B, Vol. 43, Issue 5 https://doi.org/10.1103/PhysRevB.43.4541	journal	February 1991
Lower limit to the thermal conductivity of disordered crystals Cahill, David G.; Watson, S. K.; Pohl, R. O. Physical Review B, Vol. 46, Issue 10, p. 6131-6140 https://doi.org/10.1103/PhysRevB.46.6131	journal	September 1992
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
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
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Beyond the isotropic-model approximation in the theory of thermal conductivity Omini, M.; Sparavigna, A. Physical Review B, Vol. 53, Issue 14 https://doi.org/10.1103/PhysRevB.53.9064	journal	April 1996
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Generalized gradient approximation for the exchange-correlation hole of a many-electron system Perdew, John P.; Burke, Kieron; Wang, Yue Physical Review B, Vol. 54, Issue 23 https://doi.org/10.1103/PhysRevB.54.16533	journal	December 1996
Quantitative validation of the Boltzmann transport equation phonon thermal conductivity model under the single-mode relaxation time approximation McGaughey, A. J. H.; Kaviany, M. Physical Review B, Vol. 69, Issue 9 https://doi.org/10.1103/PhysRevB.69.094303	journal	March 2004
Linear optical properties in the projector-augmented wave methodology Gajdoš, M.; Hummer, K.; Kresse, G. Physical Review B, Vol. 73, Issue 4 https://doi.org/10.1103/PhysRevB.73.045112	journal	January 2006
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
Heat transport in silicon from first-principles calculations Esfarjani, Keivan; Chen, Gang; Stokes, Harold T. Physical Review B, Vol. 84, Issue 8 https://doi.org/10.1103/PhysRevB.84.085204	journal	August 2011
Phonon-phonon interactions in transition metals Chaput, Laurent; Togo, Atsushi; Tanaka, Isao Physical Review B, Vol. 84, Issue 9 https://doi.org/10.1103/PhysRevB.84.094302	journal	September 2011
Lattice dynamics of anharmonic solids from first principles Hellman, O.; Abrikosov, I. A.; Simak, S. I. Physical Review B, Vol. 84, Issue 18 https://doi.org/10.1103/PhysRevB.84.180301	journal	November 2011
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 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
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides Errea, Ion; Calandra, Matteo; Mauri, Francesco Physical Review B, Vol. 89, Issue 6 https://doi.org/10.1103/PhysRevB.89.064302	journal	February 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
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
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
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
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
Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles Ribeiro, Guilherme A. S.; Paulatto, Lorenzo; Bianco, Raffaello Physical Review B, Vol. 97, Issue 1 https://doi.org/10.1103/PhysRevB.97.014306	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
Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory Souvatzis, P.; Eriksson, O.; Katsnelson, M. I. Physical Review Letters, Vol. 100, Issue 9 https://doi.org/10.1103/PhysRevLett.100.095901	journal	March 2008
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I. Physical Review Letters, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevLett.100.136406	journal	April 2008
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
Anharmonic Stabilization of the High-Pressure Simple Cubic Phase of Calcium Errea, Ion; Rousseau, Bruno; Bergara, Aitor Physical Review Letters, Vol. 106, Issue 16 https://doi.org/10.1103/PhysRevLett.106.165501	journal	April 2011
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
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
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
Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles Tadano, Terumasa; Tsuneyuki, Shinji Physical Review Letters, Vol. 120, Issue 10 https://doi.org/10.1103/PhysRevLett.120.105901	journal	March 2018
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe Aseginolaza, Unai; Bianco, Raffaello; Monacelli, Lorenzo Physical Review Letters, Vol. 122, Issue 7 https://doi.org/10.1103/PhysRevLett.122.075901	journal	February 2019
Theory of the Self-Consistent Harmonic Approximation with Application to Solid Neon Koehler, Thomas R. Physical Review Letters, Vol. 17, Issue 2 https://doi.org/10.1103/PhysRevLett.17.89	journal	July 1966
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
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Glasslike Heat Conduction in High-Mobility Crystalline Semiconductors Cohn, J. L.; Nolas, G. S.; Fessatidis, V. Physical Review Letters, Vol. 82, Issue 4 https://doi.org/10.1103/PhysRevLett.82.779	journal	January 1999
Thermal Transport in Crystals as a Kinetic Theory of Relaxons Cepellotti, Andrea; Marzari, Nicola Physical Review X, Vol. 6, Issue 4 https://doi.org/10.1103/PhysRevX.6.041013	journal	October 2016
Inhomogeneous Electron Gas Rajagopal, A. K.; Callaway, J. Physical Review B, Vol. 7, Issue 5 https://doi.org/10.1103/physrevb.7.1912	journal	March 1973
VESTA : a three-dimensional visualization system for electronic and structural analysis Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 41, Issue 3 https://doi.org/10.1107/S0021889808012016	journal	May 2008
An Introduction To Compressive Sampling Candes, E. J.; Wakin, M. B. IEEE Signal Processing Magazine, Vol. 25, Issue 2 https://doi.org/10.1109/MSP.2007.914731	journal	March 2008
Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems Bell, L. E. Science, Vol. 321, Issue 5895, p. 1457-1461 https://doi.org/10.1126/science.1158899	journal	September 2008
Filled Skutterudite Antimonides: A New Class of Thermoelectric Materials Sales, B. C.; Mandrus, D.; Williams, R. K. Science, Vol. 272, Issue 5266 https://doi.org/10.1126/science.272.5266.1325	journal	May 1996
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
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
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
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
Lattice Vibrations and Heat Transport in Crystals and Glasses Cahill, D. G.; Pohl, R. O. Annual Review of Physical Chemistry, Vol. 39, Issue 1 https://doi.org/10.1146/annurev.pc.39.100188.000521	journal	October 1988
CRC Handbook of Thermoelectrics Rowe, D. M. https://doi.org/10.1201/9781420049718	book	January 2017
Phonon-phonon interactions in transition metals Chaput, Laurent; Togo, Atsushi; Tanaka, Isao arXiv https://doi.org/10.48550/arxiv.1103.0137	text	January 2011
Heat transport in silicon from first principles calculations Esfarjani, Keivan; Chen, Gang; Stokes, Harold T. arXiv https://doi.org/10.48550/arxiv.1107.5288	text	January 2011
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: application to platinum and palladium hydrides Errea, Ion; Calandra, Matteo; Mauri, Francesco arXiv https://doi.org/10.48550/arxiv.1311.3083	text	January 2013
Distribution of phonon lifetime in Brillouin zone Togo, Atsushi; Chaput, Laurent; Tanaka, Isao arXiv https://doi.org/10.48550/arxiv.1501.00691	text	January 2015
Non-negligible Contributions to Thermal Conductivity From Localized Modes in Amorphous Silicon Dioxide Lv, Wei; Henry, Asegun arXiv https://doi.org/10.48550/arxiv.1504.03567	preprint	January 2015
First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao arXiv https://doi.org/10.48550/arxiv.1506.08498	preprint	January 2015
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe Aseginolaza, Unai; Bianco, Raffaello; Monacelli, Lorenzo arXiv https://doi.org/10.48550/arxiv.1807.07726	text	January 2018
Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach Isaeva, Leyla; Barbalinardo, Giuseppe; Donadio, Davide arXiv https://doi.org/10.48550/arxiv.1904.02255	text	January 2019

Similar Records

Nonperturbative phonon scatterings and the two-channel thermal transport in

{Tl}_{3} {VSe}_{4}

Journal Article · Sun Jun 20 20:00:00 EDT 2021 · Physical Review. B · OSTI ID:1851940

Understanding the evolution of anomalous anharmonicity in

{Bi}_{2} {Te}_{3 - x} {Se}_{x}

Journal Article · Tue Mar 07 19:00:00 EST 2017 · Physical Review. B · OSTI ID:1372431

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Anharmonic lattice dynamics
Lattice thermal conductivity
Phonons
Thermal conductivity
Thermal properties
Transport phenomena

Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline Tl3 VSe4

Citation Formats

References (98)

Similar Records

Related Subjects

Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline ${Tl}_{3} {VSe}_{4}$