Email this article New Possible Structure of Silicide Mg2Si under Pressure
- Authors: Luniakov Y.V.1
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Affiliations:
- Institute of Automation and Control Processes, Far East Branch
- Issue: Vol 60, No 5 (2018)
- Pages: 865-869
- Section: Semiconductors
- URL: https://ogarev-online.ru/1063-7834/article/view/202772
- DOI: https://doi.org/10.1134/S1063783418050189
- ID: 202772
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Abstract
As a result of an evolutionary search based on the density functional theory, a new low-symmetry structure of silicide Mg2Si 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.
About the authors
Yu. V. Luniakov
Institute of Automation and Control Processes, Far East Branch
Author for correspondence.
Email: luniakov@mail.ru
Russian Federation, Vladivostok, 690041
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