First principles calculations of electronic structures for orthorhombic and monoclinic Cu4SnS4

研究成果: Article査読

7 被引用数 (Scopus)

抄録

Electronic structures of orthorhombic and monoclinic Cu4SnS4, which exhibit a first-order phase transition at 232 K, are demonstrated based on the generalized gradient approximation (GGA) of the density functional theory (DFT). The calculated band gap was 0.39 eV for orthorhombic phase, while that was not obtained for monoclinic one. These calculated results confirm monoclinic phase has smaller activation energy (Ea) than orthorhombic phase.

本文言語English
ページ(範囲)1127-1129
ページ数3
ジャーナルPhysica Status Solidi (C) Current Topics in Solid State Physics
10
7-8
DOI
出版ステータスPublished - 2013 8 1

ASJC Scopus subject areas

  • Condensed Matter Physics

フィンガープリント 「First principles calculations of electronic structures for orthorhombic and monoclinic Cu<sub>4</sub>SnS<sub>4</sub>」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル