Theoretical study of highly strained InAs material from first-principles modelling: application to an ideal QD
نویسندگان
چکیده
We study the properties of highly strained InAs material calculated from first principles modeling using ABINIT packages. We first simulate the characteristic of bulk InAs crystal and compare them with both experimental and density functional theory (DFT) results. Secondly, we focus our attention on the strain effects on InAs crystal with a gradual strain reaching progressively the lattice matched parameters of InP, GaAs and GaP substrates. The final part is dedicated to the study of a hypothetic spherical InAs/GaP quantum dot. The effect of hydrostatic deformations for both InAs Zinc-Blende phase and InAs RockSalt phase is discussed. P.A.C.S. 61.50.−f, 64.70.kg, 71.15.Mb, 71.55.Εq, 73.21.La a Corresponding author: [email protected]
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