4.6 Article

Ab initio calculations for the elastic properties of magnesium under pressure

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PHYSICAL REVIEW B
卷 80, 期 10, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.104113

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  1. Russian Foundation for Basic Research [08-08-01055]

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Results of ab initio calculations of the elastic constants for the hcp, bcc, double hcp (dhcp), and fcc magnesium in a wide range of pressures are presented. The calculated elastic constants are compared with available experimental and theoretical data. We discuss the effect of the electron topological transition that occurs when the hcp structure is compressed on results of calculations and consider possibility of observing the hcp. dhcp transition on the magnesium Hugoniot.

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