Published May 2018
| Version v1
Journal article
New Possible Structure of Silicide Mg2Si under Pressure
Creators
- 1. Russian Academy of Sciences, Institute of Automation and Control Processes, Far East Branch (Russian Federation)
Description
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.
Additional details
Identifiers
Publishing Information
- Journal Title
- Physics of the Solid State
- Journal Volume
- 60
- Journal Issue
- 5
- Journal Page Range
- p. 865-869
- ISSN
- 1063-7834
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 50014342
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- COMPUTERIZED SIMULATION; DENSITY FUNCTIONAL METHOD; HEXAGONAL LATTICES; LATTICE PARAMETERS; MAGNESIUM SILICIDES; ORTHORHOMBIC LATTICES; PRESSURE RANGE GIGA PA; SYMMETRY
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; CALCULATION METHODS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; MAGNESIUM COMPOUNDS; PRESSURE RANGE; SILICIDES; SILICON COMPOUNDS; SIMULATION; THREE-DIMENSIONAL LATTICES; VARIATIONAL METHODS
Optional Information
- Copyright
- Copyright (c) 2018 Pleiades Publishing, Ltd.