Angular momentum decomposition of Bloch functions in group IV and zincblende crystals |
| |
Authors: | D.J. Chadi |
| |
Affiliation: | Xerox Palo Alto Research Center, Palo Alto, CA 94304, U.S.A. |
| |
Abstract: | The angular momentum contents of Bloch functions for a number of group IV and zincblende crystals are examined using a pseudopotential approach. The large amplitudes for d and f character functions found even for valence electron wave functions are related to the overlap of p and s symmetry states on different atoms. In zincblende crystals the strength of the d and f components increases around cations and decreases around anions for the valence bands. The f-like component is appreciable for the Γ1 conduction band particularly around a cation. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|