Density of States Calculation for Indium-Arsenide Zincblende Based on Density Functional Theory

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Mohd Faudzi Umar*
Ahmad Puaad Othman

Abstract

Ab initio study of the density of states on InAs zincblende phase is calculated using the linearized augmented plane wave method based on density functional theory, implemented with WIEN2k codes. These calculations used the local density approximation for the exchange and correlation potential. The result shows that InAs is the n-type smiconductor (donor) which has direct band gap of 0.388eV which is in agreement with experimental result. There is an internal gap between upper valence band and lower valence band. The result indicates a strong hybridization between arsenide atom and 5p state of indium atom, which belongs to the InAs at upper valence band.   


Keywords: Density of states, indium-arsenide, density functional theory


Corresponding author: Tel: +605-4506416  Fax: +605-4583616


E-mail: faudzi@fst.upsi.edu.my

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References

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