Electronic structure and optical properties of Co and Mn codoped ZnO from first-principle study

被引：0
|
作者：
Institute of Optoelectronic Material and Technology, South China Normal University, Guangzhou 510631, China [1 ]
机构：
来源：
Wuli Xuebao | 2008年 / 12卷 / 7800-7805期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The geometrical structures of pure ZnO and Co and Mn codoped 32-atom supercell of ZnO were optimized by using the ultra-soft pseudopotential method of total-energy plane wave based on the density functional theory. Band structure, density of states and optical properties were calculated and discussed in detail. The results revealed that the band gap of Co and Mn codoped ZnO are reduced and the absorption to ultraviolet visible light is obviously enhanced.
引用
收藏
相关论文
共 50 条
  • [21] First Principle Study of Structural, Electronic, Optical Properties of Co-Doped ZnO
    Soussi, Ahmed
    Haounati, Redouane
    Hssi, Abderrahim Ait
    Taoufiq, Mohamed
    Asbayou, Abdellah
    Elfanaoui, Abdeslam
    Markazi, Rachid
    Bouabid, Khalid
    Ihlal, Ahmed
    JOURNAL OF COMPOSITES SCIENCE, 2023, 7 (12):
  • [22] First-principle study of graphyne-like BN sheet: Electronic structure and optical properties
    Zhang, Yanni
    Yun, Jiangni
    Wang, Keyun
    Chen, Xuhui
    Yang, Zhi
    Zhang, Zhiyong
    Yan, Junfeng
    Zhao, Wu
    COMPUTATIONAL MATERIALS SCIENCE, 2017, 136 : 12 - 19
  • [23] Electronic Structure and Optical Properties of Antimony-Doped SnO2 from First-Principle Study
    芦鹏飞
    沈阅
    俞重远
    赵龙
    李琼瑶
    马世甲
    韩利红
    刘玉敏
    CommunicationsinTheoreticalPhysics, 2012, 57 (01) : 145 - 150
  • [24] The influence of hydrostatic pressure on the electronic structure and optical properties of tin dioxide: A first-principle study
    Cai, Lu-Gang
    Liu, Fa-Min
    Zhang, Dian
    Zhong, Wen-Wu
    PHYSICA B-CONDENSED MATTER, 2013, 408 : 73 - 78
  • [25] Electronic Structure and Optical Properties of Antimony-Doped SnO2 from First-Principle Study
    Lu Peng-Fei
    Shen Yue
    Yu Zhong-Yuan
    Zhao Long
    Li Qiong-Yao
    Ma Shi-Jia
    Han Li-Hong
    Liu Yu-Min
    COMMUNICATIONS IN THEORETICAL PHYSICS, 2012, 57 (01) : 145 - 150
  • [26] Electronic Structure and High Magnetic Properties of (Cr, Co)-codoped 4H-SiC Studied by First-Principle Calculations
    Zhang, Mengyu
    Huang, Jingtao
    Liu, Xiao
    Lin, Long
    Tao, Hualong
    CRYSTALS, 2020, 10 (08): : 1 - 13
  • [27] First-principle study of N, Ga codoped p-type ZnO
    Zhao Hui-Fang
    Cao Quan-Xi
    Li Jian-Tao
    ACTA PHYSICA SINICA, 2008, 57 (09) : 5828 - 5832
  • [28] Electronic structure and magnetic properties of (Mn, N)-codoped ZnO
    王前进
    王金斌
    钟向丽
    谭秋红
    刘应开
    Chinese Physics B, 2014, 23 (12) : 132 - 136
  • [29] Electronic structure and magnetic properties of (Mn, N)-codoped ZnO
    Wang Qian-Jin
    Wang Jin-Bin
    Zhong Xiang-Li
    Tan Qiu-Hong
    Liu Ying-Kai
    CHINESE PHYSICS B, 2014, 23 (12)
  • [30] First-principle study of electronic structure and optical property of Cu/Co doped FeS2
    Ma W.
    Wu J.
    Zhang G.
    Feng Q.
    Zhang, Guofan (zhangguofan2002@qq.com), 1600, Chinese Optical Society (36):
12345