Ab initio Determination of Structural and Dynamical Properties of Mg2Sn
Journal Article
·
· AIP Conference Proceedings
- Sakarya Ueniversitesi, Fen-Edebiyat Fakueltesi, Fizik Boeluemue, Sakarya (Turkey)
- School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom)
We have studied structural and dynamical properties of Mg2Sn by employing an ab-initio pseudopotential method and a linear response scheme, within the generalised gradient approximation. The calculated lattice constant, bulk modulus and pressure derivative of bulk modulus are in agreement with previous ab-initio calculations and available experimental results. The calculated phonon spectra are in good agreement with inelastic neutron scattering measurements along the main symmetry directions.
- OSTI ID:
- 21057142
- Journal Information:
- AIP Conference Proceedings, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 899; ISSN APCPCS; ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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