Thermal conductivity of half-Heusler compounds from first-principles calculations
Abstract
We demonstrate successful application of first-principles-based thermal conductivity calculation on half-Heusler compounds that are promising, environmentally friendly thermoelectric materials. Taking the case of a p-type half-Heusler structure, the harmonic and anharmonic interatomic force constants were obtained from a set of force-displacement data calculated by the density functional theory. Thermal conductivity was obtained by two different methods: (1) Boltzmann-Peierls formula with phonon relaxation times calculated by either Fermi's golden rule of three-phonon scattering processes or spectral analysis of molecular dynamics phase space trajectories and (2) Green-Kubo formula for heat current obtained by equilibrium molecular dynamics simulations. The calculated temperature dependence of thermal conductivity is in reasonable agreement with experiments. The method was extended to alloy crystals assuming the transferability of interatomic force constants. By having access to accurate phonon-dependent transport properties, the contribution from an arbitral subset of phonon modes can be quantified. Furthermore, this helps understanding the influence of nanostructures on thermal conductivity.
- Authors:
-
- The Univ. of Tokyo, Tokyo (Japan); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1386851
- Alternate Identifier(s):
- OSTI ID: 1100846
- Grant/Contract Number:
- SC0001299; FG02-09ER46577
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 84; Journal Issue: 10; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; solar (photovoltaic); solar (thermal); solid state lighting; phonons; thermal conductivity; thermoelectric; defects; mechanical behavior; charge transport; spin dynamics; materials and chemistry by design; optics; synthesis (novel materials); synthesis (self-assembly); synthesis (scalable processing)
Citation Formats
Shiomi, Junichiro, Esfarjani, Keivan, and Chen, Gang. Thermal conductivity of half-Heusler compounds from first-principles calculations. United States: N. p., 2011.
Web. doi:10.1103/PhysRevB.84.104302.
Shiomi, Junichiro, Esfarjani, Keivan, & Chen, Gang. Thermal conductivity of half-Heusler compounds from first-principles calculations. United States. https://doi.org/10.1103/PhysRevB.84.104302
Shiomi, Junichiro, Esfarjani, Keivan, and Chen, Gang. Wed .
"Thermal conductivity of half-Heusler compounds from first-principles calculations". United States. https://doi.org/10.1103/PhysRevB.84.104302. https://www.osti.gov/servlets/purl/1386851.
@article{osti_1386851,
title = {Thermal conductivity of half-Heusler compounds from first-principles calculations},
author = {Shiomi, Junichiro and Esfarjani, Keivan and Chen, Gang},
abstractNote = {We demonstrate successful application of first-principles-based thermal conductivity calculation on half-Heusler compounds that are promising, environmentally friendly thermoelectric materials. Taking the case of a p-type half-Heusler structure, the harmonic and anharmonic interatomic force constants were obtained from a set of force-displacement data calculated by the density functional theory. Thermal conductivity was obtained by two different methods: (1) Boltzmann-Peierls formula with phonon relaxation times calculated by either Fermi's golden rule of three-phonon scattering processes or spectral analysis of molecular dynamics phase space trajectories and (2) Green-Kubo formula for heat current obtained by equilibrium molecular dynamics simulations. The calculated temperature dependence of thermal conductivity is in reasonable agreement with experiments. The method was extended to alloy crystals assuming the transferability of interatomic force constants. By having access to accurate phonon-dependent transport properties, the contribution from an arbitral subset of phonon modes can be quantified. Furthermore, this helps understanding the influence of nanostructures on thermal conductivity.},
doi = {10.1103/PhysRevB.84.104302},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 10,
volume = 84,
place = {United States},
year = {Wed Sep 28 00:00:00 EDT 2011},
month = {Wed Sep 28 00:00:00 EDT 2011}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 185 works
Citation information provided by
Web of Science
Web of Science
Figures / Tables:
FIG. 1: The convectional unit cell of HH compound. A primitive cell consists of three atoms A, B, and C. For ZrCoSb HH compound, A = Zr, B = Co, and C = Sb.
All figures and tables
(14 total)
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
First-Principles Determination of the Soft Mode in Cubic
journal, May 1997
- Parlinski, K.; Li, Z. Q.; Kawazoe, Y.
- Physical Review Letters, Vol. 78, Issue 21
Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study
journal, January 2011
- Garg, Jivtesh; Bonini, Nicola; Kozinsky, Boris
- Physical Review Letters, Vol. 106, Issue 4
Intrinsic lattice thermal conductivity of semiconductors from first principles
journal, December 2007
- Broido, D. A.; Malorny, M.; Birner, G.
- Applied Physics Letters, Vol. 91, Issue 23
Thermodynamic properties of PbTe, PbSe, and PbS: First-principles study
journal, July 2009
- Zhang, Yi; Ke, Xuezhi; Chen, Changfeng
- Physical Review B, Vol. 80, Issue 2
Ab initio calculation of phonon dispersions in semiconductors
journal, March 1991
- Giannozzi, Paolo; de Gironcoli, Stefano; Pavone, Pasquale
- Physical Review B, Vol. 43, Issue 9
Isotope scattering of dispersive phonons in Ge
journal, January 1983
- Tamura, Shin-ichiro
- Physical Review B, Vol. 27, Issue 2
Heat transport in silicon from first-principles calculations
journal, August 2011
- Esfarjani, Keivan; Chen, Gang; Stokes, Harold T.
- Physical Review B, Vol. 84, Issue 8
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory
journal, March 2008
- Souvatzis, P.; Eriksson, O.; Katsnelson, M. I.
- Physical Review Letters, Vol. 100, Issue 9
Predicting phonon dispersion relations and lifetimes from the spectral energy density
journal, February 2010
- Thomas, John A.; Turney, Joseph E.; Iutzi, Ryan M.
- Physical Review B, Vol. 81, Issue 8
The Scattering of Low-Frequency Lattice Waves by Static Imperfections
journal, December 1955
- Klemens, P. G.
- Proceedings of the Physical Society. Section A, Vol. 68, Issue 12
Thermal conductivity of Si–Ge superlattices
journal, June 1997
- Lee, S. -M.; Cahill, David G.; Venkatasubramanian, Rama
- Applied Physics Letters, Vol. 70, Issue 22
Enhancement in Thermoelectric Figure-Of-Merit of an N-Type Half-Heusler Compound by the Nanocomposite Approach
journal, May 2011
- Joshi, Giri; Yan, Xiao; Wang, Hengzhi
- Advanced Energy Materials, Vol. 1, Issue 4, p. 643-647
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
The Physics of Phonons
journal, December 1991
- Srivastava, G. P.; Kresin, Vladimir
- Physics Today, Vol. 44, Issue 12
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Enhanced Thermoelectric Figure of Merit of p-Type Half-Heuslers
journal, February 2011
- Yan, Xiao; Joshi, Giri; Liu, Weishu
- Nano Letters, Vol. 11, Issue 2
Density-functional approach to nonlinear-response coefficients of solids
journal, June 1989
- Gonze, X.; Vigneron, J. -P.
- Physical Review B, Vol. 39, Issue 18
New Directions for Low-Dimensional Thermoelectric Materials
journal, April 2007
- Dresselhaus, M. S.; Chen, G.; Tang, M. Y.
- Advanced Materials, Vol. 19, Issue 8, p. 1043-1053
<I>A Special Issue on</I> Nanoscale Heat Transfer
journal, February 2008
- Chen, Gang; Yang, Ronggui; Volz, Sebastian
- Journal of Computational and Theoretical Nanoscience, Vol. 5, Issue 2
Thermoelectric properties of semimetallic (Zr, Hf)CoSb half-Heusler phases
journal, August 2000
- Xia, Y.; Bhattacharya, S.; Ponnambalam, V.
- Journal of Applied Physics, Vol. 88, Issue 4
Method to extract anharmonic force constants from first principles calculations
journal, April 2008
- Esfarjani, Keivan; Stokes, Harold T.
- Physical Review B, Vol. 77, Issue 14
Thermal Conductivity of MgO Periclase from Equilibrium First Principles Molecular Dynamics
journal, September 2009
- de Koker, Nico
- Physical Review Letters, Vol. 103, Issue 12
High-Thermoelectric Figure of Merit Realized in p-Type Half-Heusler Compounds: ZrCoSnxSb1-x
journal, July 2007
- Sekimoto, Takeyuki; Kurosaki, Ken; Muta, Hiroaki
- Japanese Journal of Applied Physics, Vol. 46, Issue No. 27
Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992
- Perdew, John P.; Wang, Yue
- Physical Review B, Vol. 45, Issue 23, p. 13244-13249
Nanostructured Thermoelectrics: The New Paradigm? †
journal, February 2010
- Kanatzidis, Mercouri G.
- Chemistry of Materials, Vol. 22, Issue 3
Quantitative validation of the Boltzmann transport equation phonon thermal conductivity model under the single-mode relaxation time approximation
journal, March 2004
- McGaughey, A. J. H.; Kaviany, M.
- Physical Review B, Vol. 69, Issue 9
Size effects in molecular dynamics thermal conductivity predictions
journal, June 2010
- Sellan, D. P.; Landry, E. S.; Turney, J. E.
- Physical Review B, Vol. 81, Issue 21
Computer simulation of local order in condensed phases of silicon
journal, April 1985
- Stillinger, Frank H.; Weber, Thomas A.
- Physical Review B, Vol. 31, Issue 8
Bulk nanostructured thermoelectric materials: current research and future prospects
journal, January 2009
- Minnich, A. J.; Dresselhaus, M. S.; Ren, Z. F.
- Energy & Environmental Science, Vol. 2, Issue 5
Effect of mechanical milling on thermoelectric properties of half-Heusler ZrNiSn0.98Sb0.02 intermetallic compound
journal, January 2010
- Katsuyama, Shigeru; Kobayashi, Tetsuya
- Materials Science and Engineering: B, Vol. 166, Issue 1
Ab initio theory of the lattice thermal conductivity in diamond
journal, September 2009
- Ward, A.; Broido, D. A.; Stewart, Derek A.
- Physical Review B, Vol. 80, Issue 12
Tight-binding molecular-dynamics study of phonon anharmonic effects in silicon and diamond
journal, December 1990
- Wang, C. Z.; Chan, C. T.; Ho, K. M.
- Physical Review B, Vol. 42, Issue 17
Non-Fourier heat conduction in a single-walled carbon nanotube: Classical molecular dynamics simulations
journal, May 2006
- Shiomi, Junichiro; Maruyama, Shigeo
- Physical Review B, Vol. 73, Issue 20
Molecular-dynamics simulation of thermal conductivity of silicon crystals
journal, January 2000
- Volz, Sebastian G.; Chen, Gang
- Physical Review B, Vol. 61, Issue 4
Thermal conductivity of individual silicon nanowires
journal, October 2003
- Li, Deyu; Wu, Yiying; Kim, Philip
- Applied Physics Letters, Vol. 83, Issue 14, p. 2934-2936
(Zr,Hf)Co(Sb,Sn) half-Heusler phases as high-temperature (>700°C) p-type thermoelectric materials
journal, July 2008
- Culp, Slade R.; Simonson, J. W.; Poon, S. Joseph
- Applied Physics Letters, Vol. 93, Issue 2
Fityk : a general-purpose peak fitting program
journal, September 2010
- Wojdyr, Marcin
- Journal of Applied Crystallography, Vol. 43, Issue 5
Transport properties of pure and doped M NiSn ( M =Zr, Hf)
journal, April 1999
- Uher, C.; Yang, J.; Hu, S.
- Physical Review B, Vol. 59, Issue 13
Nanoscale thermal transport
journal, January 2003
- Cahill, David G.; Ford, Wayne K.; Goodson, Kenneth E.
- Journal of Applied Physics, Vol. 93, Issue 2, p. 793-818
Phonon dispersions in As alloys
journal, July 1990
- Baroni, Stefano; de Gironcoli, Stefano; Giannozzi, Paolo
- Physical Review Letters, Vol. 65, Issue 1
Structure and phase stability of P solid solutions from computational alchemy
journal, June 1994
- Marzari, Nicola; de Gironcoli, Stefano; Baroni, Stefano
- Physical Review Letters, Vol. 72, Issue 25
New Directions for Low-Dimensional Thermoelectric Materials
journal, June 2007
- Dresselhaus, Mildred S.; Chen, Gang; Tang, Ming Y.
- ChemInform, Vol. 38, Issue 26
High-resolution X-ray luminescence extension imaging
journal, February 2021
- Ou, Xiangyu; Qin, Xian; Huang, Bolong
- Nature, Vol. 590, Issue 7846
Size effects in molecular dynamics thermal conductivity predictions
text, January 2010
- Sellan, Daniel P.; Landry, Eric S.; Turney, J. E.
- Carnegie Mellon University
The Physics of Phonons
journal, March 1975
- Reissland, J. A.; Klemens, Paul G.
- Physics Today, Vol. 28, Issue 3
Predicting phonon dispersion relations and lifetimes from the spectral energy density
text, January 2010
- Thomas, John A.; Turney, Joseph E.; Iutzi, Ryan M.
- Carnegie Mellon University
Ab initio theory of the lattice thermal conductivity in diamond
text, January 2009
- Ward, Alister; Broido, David; Stewart, Derek A.
- Universität Regensburg
Heat transport in silicon from first principles calculations
text, January 2011
- Esfarjani, Keivan; Chen, Gang; Stokes, Harold T.
- arXiv
Works referencing / citing this record:
The high-throughput highway to computational materials design
journal, February 2013
- Curtarolo, Stefano; Hart, Gus L. W.; Nardelli, Marco Buongiorno
- Nature Materials, Vol. 12, Issue 3
Large magneto-Seebeck effect in magnetic tunnel junctions with half-metallic Heusler electrodes
journal, November 2017
- Boehnke, Alexander; Martens, Ulrike; Sterwerf, Christian
- Nature Communications, Vol. 8, Issue 1
Rethinking phonons: The issue of disorder
journal, November 2017
- Seyf, Hamid Reza; Yates, Luke; Bougher, Thomas L.
- npj Computational Materials, Vol. 3, Issue 1
Perspectives on thermoelectrics: from fundamentals to device applications
journal, January 2012
- Zebarjadi, M.; Esfarjani, K.; Dresselhaus, M. S.
- Energy Environ. Sci., Vol. 5, Issue 1, p. 5147-5162
Nanoscale heat transfer – from computation to experiment
journal, January 2013
- Luo, Tengfei; Chen, Gang
- Physical Chemistry Chemical Physics, Vol. 15, Issue 10
Suppression of thermal conductivity without impeding electron mobility in n-type XNiSn half-Heusler thermoelectrics
journal, January 2019
- Barczak, S. A.; Quinn, R. J.; Halpin, J. E.
- Journal of Materials Chemistry A, Vol. 7, Issue 47
Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation
journal, July 2013
- Larkin, Jason M.; McGaughey, Alan J. H.
- Journal of Applied Physics, Vol. 114, Issue 2
First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene
journal, January 2015
- Gu, Xiaokun; Yang, Ronggui
- Journal of Applied Physics, Vol. 117, Issue 2
Effective phonon mean free path in polycrystalline nanostructures
journal, April 2015
- Hori, Takuma; Shiomi, Junichiro; Dames, Chris
- Applied Physics Letters, Vol. 106, Issue 17
Research Update: Phonon engineering of nanocrystalline silicon thermoelectrics
journal, September 2016
- Shiomi, Junichiro
- APL Materials, Vol. 4, Issue 10
Enhancement of average thermoelectric figure of merit by increasing the grain-size of Mg 3.2 Sb 1.5 Bi 0.49 Te 0.01
journal, January 2018
- Kanno, Tsutomu; Tamaki, Hiromasa; Sato, Hiroki K.
- Applied Physics Letters, Vol. 112, Issue 3
Perspective on ab initio phonon thermal transport
journal, August 2019
- Lindsay, Lucas; Katre, Ankita; Cepellotti, Andrea
- Journal of Applied Physics, Vol. 126, Issue 5
Thermoelectric transport trends in group 4 half-Heusler alloys
journal, October 2019
- Berland, Kristian; Shulumba, Nina; Hellman, Olle
- Journal of Applied Physics, Vol. 126, Issue 14
First Principles Peierls-Boltzmann Phonon Thermal Transport: A Topical Review
journal, April 2016
- Lindsay, Lucas
- Nanoscale and Microscale Thermophysical Engineering, Vol. 20, Issue 2
Thermal Transport in Disordered Materials
journal, November 2018
- DeAngelis, Freddy; Muraleedharan, Murali Gopal; Moon, Jaeyun
- Nanoscale and Microscale Thermophysical Engineering, Vol. 23, Issue 2
First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors
journal, March 2016
- Zhou, Jiawei; Liao, Bolin; Chen, Gang
- Semiconductor Science and Technology, Vol. 31, Issue 4
First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides
journal, July 2013
- Wojdeł, Jacek C.; Hermet, Patrick; Ljungberg, Mathias P.
- Journal of Physics: Condensed Matter, Vol. 25, Issue 30
Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations
journal, May 2014
- Tadano, T.; Gohda, Y.; Tsuneyuki, S.
- Journal of Physics: Condensed Matter, Vol. 26, Issue 22
Half-Heusler thermoelectrics: a complex class of materials
journal, October 2014
- Bos, Jan-Willem G.; Downie, Ruth A.
- Journal of Physics: Condensed Matter, Vol. 26, Issue 43
Advances in the measurement and computation of thermal phonon transport properties
journal, January 2015
- Minnich, A. J.
- Journal of Physics: Condensed Matter, Vol. 27, Issue 5
Phononic thermal conductivity in silicene: the role of vacancy defects and boundary scattering
journal, March 2018
- Barati, M.; Vazifehshenas, T.; Salavati-fard, T.
- Journal of Physics: Condensed Matter, Vol. 30, Issue 15
Thermal transport in thermoelectric materials with chemical bond hierarchy
journal, March 2019
- Yang, Jiong; Wang, Yancheng; Yang, Hongliang
- Journal of Physics: Condensed Matter, Vol. 31, Issue 18
Large thermal anisotropy in monoclinic niobium trisulfide: a thermal expansion tensor study
journal, April 2019
- Gan, Chee Kwan; Chua, Kun Ting Eddie
- Journal of Physics: Condensed Matter, Vol. 31, Issue 26
The impact of hydrogenation on the thermal transport of silicene
journal, January 2017
- Liu, Zeyu; Wu, Xufei; Luo, Tengfei
- 2D Materials, Vol. 4, Issue 2
Electronic, and thermoelectric properties of half-heusler compounds MCoSb (M = Ti, Zr, Hf): a first principles study
journal, March 2019
- Joshi, H.; Rai, D. P.; Laref, Amel
- Materials Research Express, Vol. 6, Issue 6
Physical, electronic and thermoelectric properties of [001] surfaces of TiCoSb half-Heusler compound
journal, May 2019
- Salimi, N.; Boochani, A.; Elahi, M.
- Materials Research Express, Vol. 6, Issue 8
Improved thermoelectric performance of p-doped half-Heusler Ti 0.5 Zr 0.5 CoSb 0.5 P 0.5 , Ti 0.5 Hf 0.5 CoSb 0.5 P 0.5 , and Zr 0.5 Hf 0.5 CoSb 0.5 P 0.5 compounds
journal, November 2019
- Li, Congcong; Li, Jia; Mao, Xiujuan
- Materials Research Express, Vol. 6, Issue 12
Local structure and atomic dynamics in Heusler-type thermoelectric material: The effect of heavy element doping
journal, January 2020
- Kimura, K.; Yamamoto, K.; Hayashi, K.
- Physical Review B, Vol. 101, Issue 2
Characterization of rattling in relation to thermal conductivity: Ordered half-Heusler semiconductors
journal, February 2020
- Feng, Zhenzhen; Fu, Yuhao; Zhang, Yongsheng
- Physical Review B, Vol. 101, Issue 6
Reduction of phonon lifetimes and thermal conductivity of a carbon nanotube on amorphous silica
journal, October 2011
- Ong, Zhun-Yong; Pop, Eric; Shiomi, Junichiro
- Physical Review B, Vol. 84, Issue 16
Anharmonic interatomic force constants and thermal conductivity from Grüneisen parameters: An application to graphene
journal, July 2017
- Lee, Ching Hua; Gan, Chee Kwan
- Physical Review B, Vol. 96, Issue 3
Band structure and thermoelectric properties of half-Heusler semiconductors from many-body perturbation theory
journal, January 2018
- Zahedifar, Maedeh; Kratzer, Peter
- Physical Review B, Vol. 97, Issue 3
Mode Grüneisen parameters of an efficient thermoelectric half-Heusler
text, January 2018
- Pang, Hong-Jie; Chen, Liu-Cheng; Cao, Zi-Yu
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Influence of mass contrast in alloy phonon scattering
journal, January 2014
- Shiga, Takuma; Hori, Takuma; Shiomi, Junichiro
- Japanese Journal of Applied Physics, Vol. 53, Issue 2
Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation
text, January 2013
- Larkin, Jason M.; McGaughey, Alan J. H.
- Carnegie Mellon University
Mode Grüneisen parameters of an efficient thermoelectric half-Heusler
journal, November 2018
- Pang, Hong-Jie; Chen, Liu-Cheng; Cao, Zi-Yu
- Journal of Applied Physics, Vol. 124, Issue 19
Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation
text, January 2013
- Larkin, Jason M.; McGaughey, Alan J. H.
- Carnegie Mellon University
Microscopic mechanism of low thermal conductivity in lead-telluride
text, January 2012
- Shiga, Takuma; Shiomi, Junichiro; Ma, Jie
- arXiv
Finding unprecedentedly low-thermal-conductivity half-Heusler semiconductors via high-throughput materials modeling
text, January 2014
- Carrete, Jesús; Li, Wu; Mingo, Natalio
- arXiv
Distribution of phonon lifetime in Brillouin zone
text, January 2015
- Togo, Atsushi; Chaput, Laurent; Tanaka, Isao
- arXiv
Influence of mass contrast in alloy phonon scattering
text, January 2015
- Shiga, Takuma; Hori, Takuma; Shiomi, Junichiro
- arXiv
Anharmonic interatomic force constants and thermal conductivity from Grüneisen parameters: an application to graphene
text, January 2017
- Lee, Ching Hua; Gan, Chee Kwan
- arXiv
Large magneto-Seebeck effect in magnetic tunnel junctions with half-metallic Heusler electrodes
text, January 2017
- Boehnke, Alexander; Martens, Ulrike; Sterwerf, Christian
- arXiv
Large thermal anisotropy in monoclinic niobium trisulfide: A thermal expansion tensor study
text, January 2019
- Gan, Chee Kwan; Chua, Kun Ting Eddie
- arXiv
Characterization of rattling in relation to thermal conductivity: ordered half-Heusler semiconductors
text, January 2020
- Feng, Zhenzhen; Fu, Yuhao; Zhang, Yongsheng
- arXiv
Figures / Tables found in this record:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.