THEORETICAL INVESTIGATION OF THE ELASTIC PROPERTIES AND LATTICE DYNAMICS OF THE MgSxSe1-x ALLOY
2007 ◽
Vol 21
(05)
◽
pp. 249-259
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Keyword(s):
Structural and elastic properties as well as lattice dynamics of ternary MgS x Se 1-x alloy have been studied using first-principles calculations. These are done using density functional theory (DFT) and density functional perturbation theory (DFPT) within the local density approximation (LDA) and employing the virtual-crystal approximation (VCA). We found that the lattice parameter, the elastic constants and the phonon frequencies follow a quadratic law in x.
2020 ◽
Vol 31
(12)
◽
pp. 2050178
2016 ◽
Vol 13
(10)
◽
pp. 6974-6977
2008 ◽
Vol 19
(08)
◽
pp. 1269-1275
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2010 ◽
Vol 139-141
◽
pp. 22-25
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2014 ◽
Vol 577
◽
pp. 102-107
2021 ◽