Electronic Structures of Strained InAs x P1- x by Density Functional Theory

J Nanosci Nanotechnol. 2018 Sep 1;18(9):6650-6652. doi: 10.1166/jnn.2018.15712.

Abstract

We investigated the effects of strain on the electronic structures of InAsxP1-x using quantum mechanical density functional theory calculations. The electronic band gap and electron effective mass decreased with the increase of the uniaxial tensile strain along the [0001] direction of wurtzite InAs0.75P0.25. Therefore, faster electron movements are expected. These theoretical results are in good agreement with the experimental measurements of InAs0.75P0.25 nanowire.