Abstract

RASERO CAUSIL, D. A; PORTACIO LAMADRID, A. A  and  RODRIGUEZ, J. A. Ga Concentration Effect on the CuIn_1-xGa_xSe₂ Electronic Properties. Ciencia en Desarrollo [online]. 2016, vol.7, n.1, pp.9-14. ISSN 0121-7488.

Abstract This paper reports some calculations of the electronic properties of CuIn_1-xGa_xSe₂ (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 (η) and anionic (μ) distortions. In both cases, the CuIn_1-xGa_xSe₂ 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 < 0,32 and negative for x > 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 : CuIn_1-xGa_xSe₂; Tight-Binding; Virtual Crystal Approximation; Crystal Field Splitting.

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