First Principle Calculation of Electronic and Optical Properties of InP

被引：0

作者：

Siraji, Ashfaqul Anwar ^{[1
]}

Alam, M. Shah ^{[1
]}

机构：

[1] Bangladesh Univ Engn & Technol, Dept Elect & Elect Engn, Dhaka 1000, Bangladesh

来源：

2012 7TH INTERNATIONAL CONFERENCE ON ELECTRICAL AND COMPUTER ENGINEERING (ICECE) | 2012年

关键词：

First Principle; InP; LDA; optical properties; Kohn-Sham bandstructure; ZINCBLENDE INP; PRESSURE; GASB; INAS; GAAS; INSB; GAP;

D O I：

暂无

中图分类号：

TP3 [计算技术、计算机技术];

学科分类号：

0812 ;

摘要：

We investigate the electronic and optical properties of InP in the zincblende phase using a plane wave basis with local density approximation (LDA). The Kohn Sham bandstructure of InP is obtained, from which the bandgap of the material is calculated. The density of states (DOS) of the two atoms of InP are also obtained. The complex dielectric function of InP is obtained from the derivative of the wave function with respect to the wave vectors in three dimension. The peaks in the spectrum of the complex part of the complex dielectric function are explained on the basis of the DOS. Refractive index, extinction coefficient and reflectivity of InP are also computed from the complex dielectric function.

引用

页数：4

共 20 条

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