Mechanics of Solids (about journal) Mechanics of Solids
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in January 1966
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IssuesArchive of Issues2020-1pp.108-113

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Total articles in the database: 4725
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M.A. Mehrabova, H.S. Orujov, N.H. Hasanov, A.I. Kazimova, and A.A. Abdullayeva, "Ab Initio Calculations of Defects in CdMnSe Semimagnetic Semiconductors," Mech. Solids. 55 (1), 108-113 (2020)
Year 2020 Volume 55 Number 1 Pages 108-113
DOI 10.3103/S0025654420010021
Title Ab Initio Calculations of Defects in CdMnSe Semimagnetic Semiconductors
Author(s) M.A. Mehrabova (Institute of Radiation Problems of ANAS, Baku, AZ 1143 Azerbaijan,
H.S. Orujov (Azerbaijan Technical University, Baku, AZ 1073 Azerbaijan; H.M. Abdullayev Institute of Physics of ANAS, Baku, AZ-1143 Azerbaijan)
N.H. Hasanov (Baku State University, Baku, AZ 1148 Azerbaijan)
A.I. Kazimova (Ganja State University, Ganja, AZ 2001 Azerbaijan)
A.A. Abdullayeva (Institute of Radiation Problems of ANAS, Baku, AZ 1143 Azerbaijan)
Abstract Ab initio calculations for studying electronic band structure of ideal and defective Cd1−xMnxSe (0.01≤x≤0.07) semimagnetic semiconductors have been performed. It has been defined that with an increase in concentration of Mn in Cd1−xMnxSe 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.
Keywords ab initio calculations, DFT, semimagnetic semiconductors, electronic band structure, density of states, band gap, defects
Received 22 July 2019Revised 22 August 2019Accepted 18 September 2019
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