Ab initio calculations for studying electronic band structure of ideal and defective Cd 1 -x Mn x Se (0.01 ≤ х ≤ 0.07) semimagnetic semiconductors have been performed. It has been defined that with an increase in concentration of Mn in Cd 1 -x Mn x Se compound, there is a decrease in the band gap. Based on the results obtained we can conclude that ferromagnetic phase is more stable than antiferromagnetic one. It has been found that defects such as vacancy, interstitial atom, and Frenkel pair lead to an increase in the band gap, change in the total energy, and formation of local levels in the band gap.

In this work the results of investigation of Cd 1-x Mn x Te (x=0.01, 0.03, 0.05) solid solutions synthesis and their thin films' obtaining technology have been represented. Epitaxial films of monocrystalline Cd 1-х Mn х Te semimagnetic semiconductors were obtained on mica substrate by MBC method. Lattice parameters and crystal structure of samples were defined with X-ray diffraction method. It has been studied the electrophysical parameters. Defect formation energy has been calculated for Cd 1-х Mn х Te semimagnetic semiconductors by Ab-initio method using Atomistix Toolkit program. We have studied the dependence of defect formation energy on supercell size for charged vacancy and interstitial defects in Cd 1-х Mn х Te thin films

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