RUS  ENG
Full version
JOURNALS // Fizika Tverdogo Tela // Archive

Fizika Tverdogo Tela, 2021 Volume 63, Issue 4, Pages 452–456 (Mi ftt8143)

Semiconductors

Mg$_{2}$Sn stannide under pressure: first-principles evolutionary search results

Yu. V. Luniakov

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

Abstract: First-principles Density Functional Theory (DFT) evolutionary searches were carried out for magnesium stannide Mg$_{2}$Sn structures. The well-known hexagonal structure of $P63/mmc$ symmetry is shown to transform to orthorhombic Pmmm structure under pressure $Ð\sim$ 5.1 GPa. The last one is stable up to pressures $Ð\sim$ 250 GPa. It can exist together with orthorhombic $Cmmm$ structure.

Keywords: Mg$_{2}$Sn, crystal structure, phase transitions, hydrostatic pressure, evolutional search, density functional method.

Received: 09.12.2020
Revised: 14.12.2020
Accepted: 17.12.2020

DOI: 10.21883/FTT.2021.04.50708.257


 English version:
Physics of the Solid State, 2021, 63:4, 590–594

Bibliographic databases:


© Steklov Math. Inst. of RAS, 2024