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

页码：592 / 595

页数：4

共 50 条

[21] First-principles Investigation on Electronic Structure and Optical Properties of CdSexS1-x
He X.
Wu L.-L.
Li C.-X.
Hao X.
Du Z.
Faguang Xuebao/Chinese Journal of Luminescence, 2020, 41 (02): : 188 - 193
[22] First-principles investigation of electronic structure, effective carrier masses, and optical properties of ferromagnetic semiconductor CdCr2S4
Zhu, Xu-Hui
Chen, Xiang-Rong
Liu, Bang-Gui
CHINESE PHYSICS B, 2016, 25 (05)
[23] First-principles investigation of electronic structure,effective carrier masses, and optical properties of ferromagnetic semiconductor CdCr2S4
朱旭辉
陈向荣
刘邦贵
Chinese Physics B, 2016, (05) : 350 - 355
[24] First-Principles Investigation of Electronic Structure Features of TbOFeAs Compound
Laref, A.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2014, 27 (11) : 2617 - 2625
[25] First-Principles Investigation of Electronic Structure Features of TbOFeAs Compound
A. Laref
Journal of Superconductivity and Novel Magnetism, 2014, 27 : 2617 - 2625
[26] First principles investigation of the electronic structure of La2MnNiO6:: An insulating ferromagnet
Matar, S. F.
Subramanian, M. A.
Villesuzanne, A.
Eyert, V.
Whangbo, M. -H.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2007, 308 (01) : 116 - 119
[27] Experimental and first-principles investigation of the electronic structure anisotropy of Cr2AlC
Bugnet, M.
Jaouen, M.
Mauchamp, V.
Cabioc'h, T.
Hug, G.
PHYSICAL REVIEW B, 2014, 90 (19)
[28] First Principles Study on Electronic Structure and Optical Properties of Ternary Semiconductor InxAl1-xP Alloys
Okbi, Farid
Lakel, Said
Benramache, Said
Almi, K.
SEMICONDUCTORS, 2020, 54 (01) : 58 - 66
[29] First Principles Study on Electronic Structure and Optical Properties of Ternary Semiconductor InxAl1 –xP Alloys
Farid Okbi
Said Lakel
Said Benramache
K. Almi
Semiconductors, 2020, 54 : 58 - 66
[30] The electronic structure and properties of Fe6(N1-xCx)2 carbonitrides by first-principles calculations
Yan, M. F.
Wu, Y. Q.
Chen, H. T.
Liu, R. L.
Zhang, M.
PHYSICA B-CONDENSED MATTER, 2012, 407 (21) : 4104 - 4107

← 1 2 3 4 5 →