Electron Mobility in CdSexTe1-x (x = 0.25) Solid Solution:  Ab Initio Calculation

O.P. Malyk; S.V. Syrotyuk

doi:10.15330/pcss.20.4.338-344

Authors

O.P. Malyk Lviv Polytechnic National University
S.V. Syrotyuk Lviv Polytechnic National University

DOI:

https://doi.org/10.15330/pcss.20.4.338-344

Keywords:

electron transfer, point defects, CdSeTe solid solution, ab initio calculation

Abstract

In this paper an assessment of the quality of a solid solution of CdSe_xTe_1-x is done by study of its transport properties. The description of the kinetic phenomena is carried on the base of the wave function and self-consistent potential for solid solution CdSe_xTe_1-x (x = 0.25) which were determined from the first principles using the projector augmented waves as implemented in the ABINIT code. The scattering processes were considered in the framework of short-range scattering models where the electron interaction with polar and nonpolar optical phonons, piezoelectric and acoustic phonons, static strain centers, neutral and ionized impurities was taken into account. The transition matrix elements were obtained by integration over the unit cell using three-dimensional B-spline interpolation. For crystals with impurity concentration 5.6´10¹⁵ - 5´10¹⁸cm^-3 the temperature dependences of electron mobility and Hall factor in the range 15 - 1200 K are calculated. The theoretical curves obtained in the short-range approach differ qualitatively and quantitatively from those obtained within the long-range models in relaxation time approximation.

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