山陽小野田市立山口東京理科大学紀要

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山陽小野田市立山口東京理科大学紀要 Issue 3
published_at 2020-03-31

Calculation of Thermoelectric Properties of Ba8Au6Si40 Clathrate on Density Functional Theory and Non-Equilibrium Green's Function Method

非平衡グリーン関数法を活用した密度汎関数理論によるBa8Au6Si40クラスレートの熱電特性の計算
ANNO Hiroaki
fulltext
4.16 MB
SU10003000002.pdf
About This Article
Creator Keywords
熱電発電
フォノン・グラス・エレクトロン・クリスタル（PGEC）
クラスレート
Ba8Au6Si40
電子輸送特性
密度汎関数理論（DFT）
非平衡グリーン関数（NEGF）法
Thermoelectric generation
Phonon Glass and Electron Crystal (PGEC)
Clathrate
Electron transport properties
Density functional theory (DFT)
Non-equilibrium Green's function (NEGF)
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