Influence of distortion on the electronic band structure of CuInSe2

2005/03/02 by H. Tototzintle-Huitle, Jorge A. Otálora, J. Otalora +6
Engineering · Materials Science · Physics and Astronomy · #Chalcogenide Semiconductor Thin Films #Copper-based nanomaterials and applications #Quantum Dots Synthesis And Properties #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.cond-mat/0503034

revtex text, 19 pages, 4 figures included

arxiv created 2005/03/15 · arxiv updated 2009/12/01

Abstract

We present a tight-binding calculation of the influence of distorsion on the bulk electronic structure of the chalcopyrite CuInSe2. We calculate the ideal case and then the effect of the inclusion of the distortions. We analyze our results in detail and conclude from a comparison with other work that the distortions must be included in the Hamiltonian to get a proper account of the electronic band structure. We use our new Hamiltonian to study the effect that both the tetragonal and the anionic distortion have on the (112) surface electronic band structure. We find this effect non-negligible.

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