Optical investigations using ultra-soft pseudopotential calculations of Si0.5Ge0.5 alloy

被引：53

作者：

Al-Douri, Y. ^{[1
]}

Feng, Y. P. ^{[2
]}

Huan, A. C. H. ^{[2
]}

机构：

[1] Univ Malaysia Perlis, Sch Microelect Engn, Jejawi Arau 02600, Perlis, Malaysia

[2] Natl Univ Singapore, Fac Sci, Dept Phys, Singapore 119260, Singapore

来源：

SOLID STATE COMMUNICATIONS | 2008年 / 148卷 / 11-12期

关键词：

A. SiGe alloy; B. Optical properties; C; VASP;

D O I：

10.1016/j.ssc.2008.09.055

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Ultra-soft pseudopotential (US-PP) calculations with a powerful package called VASP (Vienna ab initio simulation package) are used. The total density of state and the energy gap of Si0.5Ge0.5 alloy of zinc-blende structure are calculated using the band structure scheme. The energy gap is found to be indirect for the zinc-blende structure. The results of refractive index and optical dielectric constant of Si0.5Ge0 5 alloy are investigated. The results are in reasonable agreement with experimental and theoretical ones. (c) 2008 Elsevier Ltd. All rights reserved.

引用

页码：521 / 524

页数：4

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