New Possible Structure of Silicide Mg{sub 2}Si under Pressure
Journal Article
·
· Physics of the Solid State
As a result of an evolutionary search based on the density functional theory, a new low-symmetry structure of silicide Mg{sub 2}Si 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.
- OSTI ID:
- 22771127
- Journal Information:
- Physics of the Solid State, Journal Name: Physics of the Solid State Journal Issue: 5 Vol. 60; ISSN 1063-7834
- Country of Publication:
- United States
- Language:
- English
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