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JOURNALS // Fizika Tverdogo Tela // Archive

Fizika Tverdogo Tela, 2018 Volume 60, Issue 5, Pages 864–867 (Mi ftt9189)

Semiconductors

New possible structure of silicide Mg$_{2}$Si under pressure

Yu. V. Luniakov

Institute for Automation and Control Processes, Far Eastern Branch of the Russian Academy of Sciences, Vladivostok

Abstract: As a result of an evolutionary search based on the density functional theory, a new low-symmetry structure of silicide Mg$_{2}$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.

Received: 02.07.2017
Revised: 20.11.2017

DOI: 10.21883/FTT.2018.05.45778.243


 English version:
Physics of the Solid State, 2018, 60:5, 865–869

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© Steklov Math. Inst. of RAS, 2024