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

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

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)2777-2780
Number of pages4
Journaljournal of the physical society of japan
Volume66
Issue number9
DOIs
Publication statusPublished - 1997 Sep
Externally publishedYes

Keywords

  • Band theory
  • Compton profile
  • Diamond
  • Electron momentum density
  • FLAPW method
  • Local-density approximation
  • Self-interaction correction
  • Silicon
  • Synchrotron radiation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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