Ga Concentration Effect on the CuIn1-xGaxSe2 Electronic Properties

Ga Concentration Effect on the CuIn1-xGaxSe2 Electronic Properties

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 ()...

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Bibliographic Details
Main Authors: Rasero Causil, D. A., Portacio Lamadrid, A. A., Rodríguez, J. A.
Format: Online
Language:spa
Published: Universidad Pedagógica y Tecnológica de Colombia 2016
Subjects:
CuIn1−xGaxSe2
Tight-Binding
aproximación de cristal virtual
Crystal Field Splitting. (CuIn1-xGaxSe2
Virtual Crystal Approximation
Crystal Field Splitting)
Online Access:https://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/4225
Description
Summary: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.