First principles investigation of geometrical and electronic structure of semiconductor Fe1-xCoxSi2

被引：0
|
作者：
Yan, Wan-Jun [1 ]
Zhou, Shi-Yun [1 ]
Gui, Fang [1 ]
Zhang, Chun-Hong [1 ]
Guo, Xiao-Tian [1 ]
Yang, Yong [1 ]
机构：
[1] An Shun Univ, Dept Phys & Elect Sci, An Shun 561000, Peoples R China
来源：
OPTOELECTRONIC MATERIALS, PTS 1AND 2 | 2010年 / 663-665卷
关键词：
Doped beta-FeSi(2); Geometrical structure; Electronic structure; First principle; IRON DISILICIDE; BETA-FESI2;
D O I：
10.4028/www.scientific.net/MSF.663-665.592
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
The electronic structure and optical properties of Fe(1-x)Co(x)Si(2) have been studied using the first principle plane-wave pseudo-potential based on the density function theory. Substitutional doping is considered with Co concentrations of x=0.0625, 0.125, 0.1875 and 0.25, respectively. The calculated results show that the volume of beta-FeSi(2) increase and the band gap decrease with increasing of Co.
引用
收藏
页码：592 / 595
页数：4
相关论文
共 50 条
  • [1] First Principles calculation of Geometrical and Electronic Structure of Semiconductor Fe1-xMnxSi2
    Gui, Fang
    Zhou, Shi-Yun
    Yan, Wan-Jun
    Zhang, Chun-Hong
    Guo, Xiao-Tian
    Yang, Yong
    ADVANCED MATERIALS RESEARCH, 2011, 213 : 483 - 486
  • [2] Thermoelectric properties of β-Fe1-xCoxSi2 semiconductors
    Tani, J.-I.
    Kido, H.
    2001, Japan Society of Applied Physics (40):
  • [3] Thermoelectric properties of β-Fe1-xCoxSi2 semiconductors
    Tani, J
    Kido, H
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 2001, 40 (5A): : 3236 - 3239
  • [4] First principles study on the electronic structure and magnetism of Fe1-xCoxSi alloys
    Hu Zhi-Hui
    He Wei
    Sun Young
    Cheng Zhao-Hua
    CHINESE PHYSICS, 2007, 16 (12): : 3863 - 3867
  • [5] Fe1-xCoxSi2薄膜的光学性质研究
    中国计量大学学报, 2001, (02) : 103 - 103
  • [6] ELECTRICAL AND OPTICAL-PROPERTIES OF THIN FE1-XCOXSI2 FILMS
    TEICHERT, S
    KILPER, R
    FRANKE, T
    ERBEN, J
    HAUSSLER, P
    HENRION, W
    LANGE, H
    PANKNIN, D
    APPLIED SURFACE SCIENCE, 1995, 91 (1-4) : 56 - 62
  • [7] PHASE-DIAGRAM OF THE FE1-XCOXSI2 ALLOY IN THE FLUORITE FORM
    MOTTA, N
    CHRISTENSEN, NE
    PHYSICAL REVIEW B, 1991, 43 (06): : 4902 - 4907
  • [8] Fe1-xCoxSi2薄膜的光学性质实验研究（英文）
    张荣君
    周鹏
    张颖君
    郑玉祥
    陈良尧
    光电子·激光, 2001, (08) : 781 - 784
  • [9] First principles calculations of the electronic structure of Fe1-xCoxPt
    MacLaren, JM
    Willoughby, SD
    McHenry, ME
    Ramalingam, B
    Sankar, SG
    IEEE TRANSACTIONS ON MAGNETICS, 2001, 37 (04) : 1277 - 1279
  • [10] Electronic Structure and Magnetic Phase Transition in Helicoidal Fe1 - xCoxSi Ferromagnets
    A. A. Povzner
    A. G. Volkov
    T. A. Nogovitsyna
    Physics of the Solid State, 2018, 60 : 230 - 237
12345