Effects of Self-Interaction Correction on Compton Profiles of Diamond and Silicon

Yasunori Kubo, Yoshiharu Sakura, Yoshikazu Tanaka, Tetsuya Nakamura, Hiroshi Kawata, Nobuhiro Shiotani

研究成果: Article査読

5 被引用数 (Scopus)

抄録

The full-potential linearized augmented-plane-wave (FLAPW) method is employed to find out effects of introducing the self-interaction correction (SIC) on the band structures, electron wavefunctions and Compton profiles of both diamond and silicon. To examine the computed results high-resolution Compton profiles of silicon along the 〈100〉, 〈110〉 and 〈111〉 directions are measured. In the case of silicon, it is found that theoretical Compton profiles computed with the SIC are in better agreementwith the measured profiles when their first derivatives are compared. Although the effects of the SIC is much larger in the case of diamond, the theoritical prediction is to be tested by future high-resolution Compton profile measurements.

本文言語English
ページ(範囲)2777-2780
ページ数4
ジャーナルjournal of the physical society of japan
66
9
DOI
出版ステータスPublished - 1997 9
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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