Ab-initio Study of Structural, Electronic and Optical Properties of ZnTe at Wurtzite and Zinc Blende Phases

被引：0
|
作者：
Aazi, Mohamed [1 ]
Atmani, El Houssine [1 ]
Fazouan, Najma [1 ]
Bziz, Ibrahim [1 ]
Es-smairi, Adil [1 ]
机构：
[1] Hassan II Univ Casablanca, Lab Condensed Matters & Renewable Energies, Fac Sci & Technol Mohammedia, Casablanca, Morocco
来源：
PROCEEDINGS OF 2019 7TH INTERNATIONAL RENEWABLE AND SUSTAINABLE ENERGY CONFERENCE (IRSEC) | 2019年
关键词：
ZnTe; DFT; Structural Properties; Optical Properties; Electronic Properties;
D O I：
暂无
中图分类号：
X [环境科学、安全科学];
学科分类号：
08 ; 0830 ;
摘要：
Zinc Telluride is a semiconductor of the family II-IV. It is used in the photovoltaic industry for solar cells as back-surface filed layer, and as p-semiconductor in PIN diode structures. The structural, electronic and optical properties of zinc blende and wurtzite phases of the ZnTe were studied using the DFT method implemented in the WIEN2k code. the stack of methods and approximations available within the code WIEN2k such as 2Doptimize, TB-mBJ and PBE were used to optimize structural properties and then calculate the electronic and the optical properties. The zinc blende ZnTe appears to be the most stable at room temperature due to its lowest energy. The results for structural, electronic and optical fit within the ranges of the existing experimental and other theoritical methods
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页码：149 / 153
页数：5
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