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.
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International Journal of Materials Science and Applications (Volume 3, Issue 6-1)
This article belongs to the Special Issue Materials Science |
| DOI | 10.11648/j.ijmsa.s.2014030601.16 |
| Page(s) | 24-32 |
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This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
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Copyright © The Author(s), 2024. Published by Science Publishing Group |
Semimagnetic Semiconductor, Electron Structure, Defect, Vacancy, Interstitial Atom, Frenkel Pair, Ab Initio, Magnetic Moment, Density of States
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APA Style
M. A. Mehrabova, H. S. Orujov, N. H. Hasanov. (2015). Ab Initio Study of Defects in CdMnTe: Electronic Structure and Related Properties. International Journal of Materials Science and Applications, 3(6-1), 24-32. https://doi.org/10.11648/j.ijmsa.s.2014030601.16
ACS Style
M. A. Mehrabova; H. S. Orujov; N. H. Hasanov. Ab Initio Study of Defects in CdMnTe: Electronic Structure and Related Properties. Int. J. Mater. Sci. Appl. 2015, 3(6-1), 24-32. doi: 10.11648/j.ijmsa.s.2014030601.16
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Download@article{10.11648/j.ijmsa.s.2014030601.16,
author = {M. A. Mehrabova and H. S. Orujov and N. H. Hasanov},
title = {Ab Initio Study of Defects in CdMnTe: Electronic Structure and Related Properties},
journal = {International Journal of Materials Science and Applications},
volume = {3},
number = {6-1},
pages = {24-32},
doi = {10.11648/j.ijmsa.s.2014030601.16},
url = {https://doi.org/10.11648/j.ijmsa.s.2014030601.16},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijmsa.s.2014030601.16},
abstract = {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.},
year = {2015}
}
TY - JOUR T1 - Ab Initio Study of Defects in CdMnTe: Electronic Structure and Related Properties AU - M. A. Mehrabova AU - H. S. Orujov AU - N. H. Hasanov Y1 - 2015/01/22 PY - 2015 N1 - https://doi.org/10.11648/j.ijmsa.s.2014030601.16 DO - 10.11648/j.ijmsa.s.2014030601.16 T2 - International Journal of Materials Science and Applications JF - International Journal of Materials Science and Applications JO - International Journal of Materials Science and Applications SP - 24 EP - 32 PB - Science Publishing Group SN - 2327-2643 UR - https://doi.org/10.11648/j.ijmsa.s.2014030601.16 AB - 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. VL - 3 IS - 6-1 ER -
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