Effect of doping Fe and Si on electronic structure and optical Properties of CdS

被引：15
|
作者：
Han, Yan-Xiao [1 ]
Yang, Chuan-Lu [1 ]
Yang, Jun-Sheng [1 ]
Wang, Mei-Shan [1 ]
Ma, Xiao-Guang [1 ]
机构：
[1] Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China
来源：
PHYSICA B-CONDENSED MATTER | 2013年 / 417卷
基金：
美国国家科学基金会;
关键词：
Optical properties; Electronic properties; Semiconductor; Density functional theory; DONORS; ION;
D O I：
10.1016/j.physb.2013.02.009
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The geometrical structure, electronic properties and optical properties of CdS and M@CdS (M=Fe, Si) were studied systemically with first principles density functional theory. The band structure and density of states have been calculated to analyze the effect of the doping Fe and Si elements on the electronic properties and magnetic properties of CdS. The results show that all the conductive, magnetic and optical properties of CdS are changed by the doped elements. Both obvious and insignificant changes are found in some cases, which provide helpful guide for preparing doped CdS materials. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码：17 / 23
页数：7
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