Open AccessElectronic structure and optical properties of ZnSe under high pressure
Author(s) -
Ji Zheng-Hua,
Xianghua Zeng,
Hu Yong-Jin,
Manqing Tan
Publication year - 2008
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.57.3753
Subject(s) - electronic band structure , materials science , electronic structure , plane wave , reflection (computer programming) , absorption (acoustics) , high pressure , condensed matter physics , band gap , electron , optoelectronics , optics , physics , engineering physics , quantum mechanics , composite material , computer science , programming language
We have calculated the electronic structure and optical properties of zinc blende structure ZnSe under different high pressure by means of plane wave pseudo-potential method (PWP) with generalized gradient approximation (GGA) in this paper. The total energy, density of state, energy band structure, and optical absorption and reflection properties under high pressure are calculated. Furthermore, we analyzed the change of electron structure, band structure and optical properties under high pressure using the results of experiment and theory.