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1. Cu(InGa)Se 2 : Un Estudio de la Estructura Electrónica Usando Tight-Binding, Aproximación de Cristal Virtual y Método de Montecarlo.

Author

Suárez, Tomás S., Rasero, Diego A., Jiménez, Rosbel A., and Rodríguez, Jairo Arbey

Subjects
*CHALCOPYRITE, *ELECTRONIC structure, *ELECTRONICS, *CRYSTALS, *PHYSICS
Abstract

We have carried out a study of the electronic states of the quaternary chalcopyrite CuIn1-xGaxSe2 using the Tight-binding method (TB) and the Virtual Crystal Approximation (VCA). We have used the TB parameters determined by Rodriguez et. al.[1]. For the application of the VCA we used a quadratic relation with a bowing parameter which was calculated by means of the procedure of Olguín [2], plus a correction that improve the results. Such correction is proposed in this work. The values of the energy gap as a function of x, calculated with that bowing parameter, showed a good agreement with the experimental values. After that, the bowing parameter was used in order to calculate the electronic bands for x = 0.6. We have found that the bands are strongly affected by x. [ABSTRACT FROM AUTHOR]

Published
2009

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