Новая возможная структура силицида Mg-=SUB=-2-=/SUB=-Si под давлением
Keyword(s):
AbstractAs a result of an evolutionary search based on the density functional theory, a new low-symmetry structure of silicide Mg_2Si under pressure was discovered. This structure can exist along with the known structures of the symmetry Pnma and P63/mmc and is stable at a pressure of about 20 GPa. The lattice parameters of the discovered structure are in better agreement with the experimental values than the lattice parameters of the known structures.
2016 ◽
Vol 846
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pp. 561-566
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2015 ◽
Vol 17
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pp. 22448-22454
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2015 ◽
Vol 143
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pp. 244105
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2005 ◽
Vol 109
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pp. 8880-8892
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