 | | Mechanics of Solids
A Journal of Russian Academy of Sciences | | Founded
in January 1966
Issued 6 times a year
Print ISSN 0025-6544
Online ISSN 1934-7936 |
Archive of Issues
| Total articles in the database: | | 11223 |
| In Russian (Èçâ. ÐÀÍ. ÌÒÒ): | | 8011
|
| In English (Mech. Solids): | | 3212 |
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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, m.mehrabova@science.az)
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 2019 | Revised |
22 August 2019 | Accepted |
18 September 2019 |
| Link to Fulltext |
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