Atomistic Calculations of Heat Transport in a Silicon Crystal

• Kobayashi Nobuhiko

  Institute of Applied Physics and Tsukuba Research Center for Interdisciplinary Materials Science, University of Tsukuba

• Yamamoto Kohei

  Institute of Applied Physics and Tsukuba Research Center for Interdisciplinary Materials Science, University of Tsukuba

• Ishii Hiroyuki

  Institute of Applied Physics and Tsukuba Research Center for Interdisciplinary Materials Science, University of Tsukuba PRESTO, Japan Science and Technology (JST) Agency

• Hirose Kenji

  Green Innovation Research Laboratories, NEC Corporation

抄録

We have performed atomistic calculations of phonon transport properties. The dynamical matrix is obtained from ab initio calculations, and phonon transport properties are analyzed by the nonequilibrium Green's function method. As an example of the applications of the method, we present the temperature dependence of heat transport properties and the phonon lifetime due to phonon-phonon scatterings by the anharmonic terms of interatomic forces for a silicon crystal. [DOI: 10.1380/ejssnt.2014.154]

収録刊行物

• e-Journal of Surface Science and Nanotechnology

  e-Journal of Surface Science and Nanotechnology 12 (0), 154-156, 2014

  公益社団法人 日本表面真空学会

キーワード

• Density functional calculations
• Green's function methods
• Phonons
• Silicon

詳細情報

• CRID: 1390282680163709056
• NII論文ID: 130004438873
• DOI: 10.1380/ejssnt.2014.154
• ISSN: 13480391
• Web Site: https://www.jstage.jst.go.jp/article/ejssnt/12/0/12_154/_pdf
• 本文言語コード: en
• データソース種別:
  • JaLC
  • Crossref
  • CiNii Articles
  • KAKEN
• 抄録ライセンスフラグ: 使用不可