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Vol. 7 No. 1 (2016)
Enero a Junio

Revisiones/Reviews

Ga Concentration Effect on the CuIn1-xGaxSe2 Electronic Properties

https://doi.org/10.19053/01217488.4225

Published 2016-02-15

  • D. A. Rasero Causil
    • ,
  • A. A. Portacio Lamadrid
    • ,
  • J. A. Rodríguez

Abstract

This paper reports some calculations of the electronic properties of CuIn1-xGaxSe2 (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) compound, by using the Tight-Binding (TB) method and Virtual Crystal Approximation (VCA). It is considered the ideal case and with the tetragonal () and anionic () distortions. In both cases, the CuIn1-xGaxSe2 is a direct semiconductor at Γ, for all concentrations.It was found that the Crystal Field Splitting (CFS) at the Γ point depends mainly on the tetragonal distortion. The CFS is positive for x &lt, 0,32 and negative for x &gt, 0.32. This behavior is due that when x is increasing, the unit cell shrinks, approaching the pseudo-atom (In,Ga) to the Se atom.

Keywords

CuIn1−xGaxSe2, Tight-Binding, aproximación de cristal virtual, Crystal Field Splitting. (CuIn1-xGaxSe2, Virtual Crystal Approximation, Crystal Field Splitting)

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