Open AccessORDERED STRUCTURES AND ELECTRONIC PROPERTIES OF (GaAs)1-xGe2x SYSTEM
Author(s) -
段文晖,
王世范,
倪军,
顾秉林,
朱嘉麟
Publication year - 1993
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.42.809
Subject(s) - materials science , electronic structure , character (mathematics) , condensed matter physics , first principle , metal , density functional theory , physics , quantum mechanics , mathematics , geometry , metallurgy
The stable ordered structures of (GaAs)1-xGe2x system have been studied, using the probability wave theory of the atomic configuration (PWAC). Based on the determination of the ordered structures, the electronic structures of five typical stable ordered structures for x = 0.5 are investigated by the use of first principle self-consistent LMTO method. The calculated results show that the electronic properties of different ordered structures can be quite different. The more Ga-Ge and Ge-As atomic bonds in unit cell of ordered structures are, the more possible the ordered structures are expected to exhibit a metallic character.