STRUCTURAL AND ELECTRONIC-PROPERTIES OF NARROW-BAND-GAP SEMICONDUCTORS - INP, INAS, AND INSB

被引:99
作者
MASSIDDA, S
CONTINENZA, A
FREEMAN, AJ
DEPASCALE, TM
MELONI, F
SERRA, M
机构
[1] NORTHWESTERN UNIV,DEPT PHYS & ASTRON,EVANSTON,IL 60208
[2] UNIV CAGLIARI,DIPARTIMENTO SCI FIS,I-09124 CAGLIARI,ITALY
[3] UNIV CAGLIARI,IST FIS SUPER,I-09124 CAGLIARI,ITALY
来源
PHYSICAL REVIEW B | 1990年 / 41卷 / 17期
关键词
D O I
10.1103/PhysRevB.41.12079
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The structural and electronic properties of the narrow-band-gap zinc-blende-structure III-V semiconductors InP, InAs, and InSb are studied with two first-principles schemes: the full-potential linear augmented-plane-wave (FLAPW) method and ab initio norm-conserving pseudopotentials. The all-electron equilibrium properties are found to be in excellent agreement with experiment; a comparison between the FLAPW and pseudopotential results emphasizes the role of the shallow semicore In 4d states for both the structural and electronic properties of these compounds. Our results also show that, within the local-density approximation, InAs and InSb have metallic character, while InP retains its semiconductor properties. © 1990 The American Physical Society.
引用
收藏
页码:12079 / 12085
页数:7
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