Structural and electronic property calculations of III-As (III:Ga, In) semiconductors using PAW+U by first principles

Abstract

To study the structural and electronic properties of III-As (III:Ga, In) binary semiconductors, the total minimum energy of zinc blend GaAs and InAs cubic structure are calculated using local density approximation (LDA) with norm-conserving pseudopotential and the projector augmentation wave (PAW) pseudopotential to the density functional theory (DFT… (More)

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Cite this paper

@article{Pandey2014StructuralAE, title={Structural and electronic property calculations of III-As (III:Ga, In) semiconductors using PAW+U by first principles}, author={Birendra P. Pandey and V. Kumar}, journal={2014 Students Conference on Engineering and Systems}, year={2014}, pages={1-5} }