Paper Title:
First Principles Investigation of Geometrical and Electronic Structure of Semiconductor Fe1-XCoxSi2
  Abstract

The electronic structure and optical properties of Fe1-xCoxSi2 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 β-FeSi2 increase and the band gap decrease with increasing of Co.

  Info
Periodical
Materials Science Forum (Volumes 663-665)
Edited by
Yuan Ming Huang
Pages
592-595
DOI
10.4028/www.scientific.net/MSF.663-665.592
Citation
W. J. Yan, S. Y. Zhou, F. Gui, C. H. Zhang, X. T. Guo, Y. Yang, "First Principles Investigation of Geometrical and Electronic Structure of Semiconductor Fe1-XCoxSi2", Materials Science Forum, Vols. 663-665, pp. 592-595, 2011
Online since
November 2010
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