Effects of self-interaction correction on momentum density in copper

Autor:	Y Sakurai, Yasunori Kubo, Nobuhiro Shiotani
Rok vydání:	1999
Předmět:	Condensed matter physics Astrophysics::High Energy Astrophysical Phenomena Compton scattering chemistry.chemical_element Fermi surface Electron Condensed Matter Physics Copper Momentum chemistry General Materials Science Point (geometry) Atomic physics Electronic band structure Wave function
Zdroj:	Journal of Physics: Condensed Matter. 11:1683-1695
ISSN:	1361-648X 0953-8984
Popis:	The full-potential linearized APW (FLAPW) method is employed to find out effects of introducing the self-interaction correction (SIC) on the band structure, the Fermi surface geometry, electron wavefunctions and Compton profiles. Introduction of the SIC lowers and narrows the d bands. As the results, the theoretical Compton profiles are brought into a better agreement with the experimental profiles on one hand, and the area of the Fermi surface neck at the L point becomes too small to explain the dHvA result on the other hand.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::95080ce2ad5e6bde4541f64950da134a https://doi.org/10.1088/0953-8984/11/7/003 Zobrazit plný text záznamu