Electronic Structure and Optical Properties of C-Doped Ca2Si

被引：2
|
作者：
Deng, Yongrong [1 ,3 ]
Yan, Wanjun [1 ,3 ]
Zhang, Chunhong [2 ,3 ]
Qin, Xinmao [1 ,3 ]
Zhou, Shiyun [1 ,3 ]
机构：
[1] Anshun Univ, Coll Elect & Informat Engn, Anshun 561000, Guizhou, Peoples R China
[2] Anshun Univ, Coll Math Sci, Anshun 561000, Guizhou, Peoples R China
[3] Anshun Univ, Engn Ctr Avion Elect & Informat Network, Anshun 561000, Guizhou, Peoples R China
来源：
4TH ANNUAL INTERNATIONAL WORKSHOP ON MATERIALS SCIENCE AND ENGINEERING (IWMSE2018) | 2018年 / 381卷
关键词：
SILICIDES; GROWTH;
D O I：
10.1088/1757-899X/381/1/012015
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A first-principle method is used to calculate the geometric structure, energy band structure, electronic state density, and optical properties of C-doped Ca2Si. Results show that volume of Ca2Si decreases, and band gap increases after doping with C. The optical properties of Ca2Si after C doping change as follows: epsilon(1)(0) and refractivity index increase, whereas epsilon(2)(omega), extinction coefficient, absorption, and reflectivity decrease.
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页数：6
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