Zinc-Blende MnTe Under Pressure: Structural, Mechanical, and Optical Properties from Ab Initio Calculation

被引：0
|
作者：
Abdelghani Khaldi
Hatem Ghodbane
Nadir Bouarissa
Saleh Daoud
Zahir Rouabah
机构：
[1] University of Mohamed El Bachir El Ibrahimi,Laboratory of Materials and Electronic Systems (LMSE)
[2] Université de Biskra,Laboratoire de Modélisation des Systèmes Energétiques (LMSE)
[3] University of M’Sila,Laboratory of Materials Physics and Its Applications
[4] Université Savoie Mont Blanc,Laboratoire SYMME
来源：
Journal of Superconductivity and Novel Magnetism | 2017年 / 30卷
关键词：
MnTe; Pressure; Structural properties; Mechanical properties; Optical properties; Ab initio;
D O I：
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中图分类号：
学科分类号：
摘要：
We present first-principles studies of structural, mechanical, and optical properties of zinc blende MnTe using the pseudopotential plane-wave method within the local density approximation. The effect of hydrostatic pressure on investigated properties has been examined and discussed. At zero pressure, our results are found to agree reasonably well with those reported in the literature. The generalized elastic stability criteria showed that the material of interest is mechanically stable in all the studied pressure ranges. Applied pressure is found to shift all optical spectra under consideration, giving new optical parameters.
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页码：1533 / 1538
页数：5
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