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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
Citation:
Yu. V. Luniakov, “New possible structure of silicide Mg$_{2}$Si under pressure”, Fizika Tverdogo Tela, 60:5 (2018), 864–867; Phys. Solid State, 60:5 (2018), 865–869
Linking options:
https://www.mathnet.ru/eng/ftt9189 https://www.mathnet.ru/eng/ftt/v60/i5/p864
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