Lattice dynamics, thermodynamics, and elastic properties of Na2Se under pressure investigated by first principles method
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First-principles calculations have been performed to investigate the structural stability, elastic, lattice dynamic, and thermodynamic properties of Na2Se under high pressure. Our results demonstrate that Na2Se in the antifluorite structure phase keeps dynamically stable until 30 GPa. The elastic constants and thermodynamic quantities under high pressure are also calculated and discussed.
2011 ◽
Vol 406
(5)
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pp. 1182-1186
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2012 ◽
Vol 3
(2)
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pp. 160-170
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2018 ◽
Vol 203
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pp. 362-373
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2019 ◽
Vol 33
(18)
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pp. 1950193
2016 ◽
Vol 663
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pp. 565-573
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2011 ◽
Vol 406
(13)
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pp. 2501-2508
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2005 ◽
Vol 370
(1-4)
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pp. 236-242
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