Investigation of Transport Properties of InP1-xSbx alloys: A First Principle Approach

Abstract

The transport properties of InP_1-xSb_x supercell structures have been analyzed at different percent of Sb incorporation. The investigation has been performed employing the BoltzTraP code, which emphasizes on parameters computed using WIEN2K package under Density Functional Theory (DFT) formalism. The transport parameters calculation assumes constant value of relaxation time.  The analysis of such parameters as a function of temperature predicts: (a) the distribution of carriers along different bands (i.e., both valence and conduction band); (b) the type of degeneracy of the material; (c) the electrical conductivity and mobility of the alloy.