High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model

Toher, Cormac; Plata, Jose J.; Levy, Ohad; de Jong, Maarten; Asta, Mark; Nardelli, Marco Buongiorno; Curtarolo, Stefano

doi:10.1103/PhysRevB.90.174107

Title: High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model

Journal Article · Wed Nov 12 00:00:00 UTC 2014 · Physical Review. B, Condensed Matter and Materials Physics

DOI: https://doi.org/10.1103/PhysRevB.90.174107 · OSTI ID:1181485

Toher, Cormac; Plata, Jose J.; Levy, Ohad; de Jong, Maarten; Asta, Mark; Nardelli, Marco Buongiorno; Curtarolo, Stefano

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1181485

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 17 Vol. 90; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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