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We present a first principles study based on density functional theory ofthermodynamic and electronic properties of the most important intrinsic defectsin the semiconductor alloy Cd(1-x)Zn(x)Te with x<0.13. The alloy is representedby a set of supercells with disorder on the Cd/Zn sublattice. Defect formationenergies as well as electronic and optical transition levels are analyzed as afunction of composition. We show that defect formation energies increase withZn content with the exception of the neutral Te vacancy. This behavior isqualitatively similar to but quantitatively rather different from the effect ofvolumetric strain on defect properties in pure CdTe. Finally, the relativecarrier scattering strengths of point defects, alloy disorder, and phonons areobtained. It is demonstrated that for realistic defect concentrations carriermobilities are limited by phonon scattering for temperature above approximately150 K.

Contributions of point defects, chemical disorder, and thermal vibrations to electronic properties of Cd(1-x)Zn(x)Te alloys