Effect of exchange–correlation on first-principles-driven lattice thermal conductivity predictions of crystalline silicon

标题
Effect of exchange–correlation on first-principles-driven lattice thermal conductivity predictions of crystalline silicon
作者
关键词
Thermal conductivity, Density functional theory, Lattice dynamics, Boltzmann transport equation, Pseudopotentials, Phonons
出版物
COMPUTATIONAL MATERIALS SCIENCE
Volume 110, Issue -, Pages 115-120
出版商
Elsevier BV
发表日期
2015-08-24
DOI
10.1016/j.commatsci.2015.08.014

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