Ab Initio Study of Defects in CdMnTe: Electronic Structure and Related Properties
International Journal of Materials Science and Applications
Volume 3, Issue 6-1, December 2014, Pages: 24-32
Received: Jan. 3, 2015;
Accepted: Jan. 7, 2015;
Published: Jan. 22, 2015
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M. A. Mehrabova, Institute of Radiation Problems of Azerbaijan National Academy of Sciences, Baku, Azerbaijan
H. S. Orujov, Institute of Physics of Azerbaijan National Academy of Sciences, Baku, Azerbaijan
N. H. Hasanov, Physics Faculty, Baku State University, Baku, Azerbaijan
Band structure, density of states, total energy and magnetic moment are calculated for ideal and defective supercell CdTe and CdMnTe by ab initio method. The optimization of crystal structure and atom relaxation has been carried out. The band gap, local levels in the band gap and magnetic moments are defined for various defective supercell CdTe and CdMnTe in ferromagnetic and antiferromagnetic states. It has been defined that as Mn atoms, the vacancy, interstitial atom and Frenkel pair in the crystal structure form magnetic moment.
M. A. Mehrabova,
H. S. Orujov,
N. H. Hasanov,
Ab Initio Study of Defects in CdMnTe: Electronic Structure and Related Properties, International Journal of Materials Science and Applications. Special Issue: Materials Science.
Vol. 3, No. 6-1,
2014, pp. 24-32.
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