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

Autor:	Nobuhiro Shiotani, Hiroshi Kawata, Tetsuya Nakamura, Yoshikazu Tanaka, Yasunori Kubo, Yoshiharu Sakurai
Rok vydání:	1997
Předmět:	Physics Silicon business.industry Compton scattering General Physics and Astronomy Diamond Synchrotron radiation chemistry.chemical_element Electron engineering.material Computational physics Optics chemistry engineering Local-density approximation business Wave function Electronic band structure
Zdroj:	Journal of the Physical Society of Japan. 66:2777-2780
ISSN:	1347-4073 0031-9015
Popis:	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 , and directions are measured. In the case of silicon, it is found that theoretical Compton profiles computed with the SIC are in better agreement with the measured profiles when their first derivatives are compared. Although the effects of the SIC is much larger in the case of diamond, the theoretical prediction is to be tested by future high-resolution Compton profile measurements.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a299abd9b7ffbca9df5ac65230e1e092 https://doi.org/10.1143/jpsj.66.2777 Zobrazit plný text záznamu