Published April 23, 2007 | Version v1
Journal article Metadata-only

Ab initio Determination of Structural and Dynamical Properties of Mg2Sn

Creators

  • 1. Sakarya Ueniversitesi, Fen-Edebiyat Fakueltesi, Fizik Boeluemue, Sakarya (Turkey)
  • 2. School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom)

Description

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

Additional details

Identifiers

DOI
10.1063/1.2733129;

Publishing Information

Journal Title
AIP Conference Proceedings
Journal Volume
899
Journal Issue
1
Journal Page Range
p. 247-248
ISSN
0094-243X
CODEN
APCPCS

Conference

Title
6. international conference of the Balkan Physical Union
Dates
22-26 Aug 2006
Place
Istanbul (Turkey)

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
39074353
Subject category
S36: MATERIALS SCIENCE;
Resource subtype / Literary indicator
Conference
Descriptors DEI
APPROXIMATIONS; CRYSTAL STRUCTURE; INELASTIC SCATTERING; LATTICE PARAMETERS; MAGNESIUM ALLOYS; NEUTRON DIFFRACTION; NEUTRON REACTIONS; PHONONS; POTENTIALS; SEMICONDUCTOR MATERIALS; SYMMETRY; TIN ALLOYS
Descriptors DEC
ALLOYS; BARYON REACTIONS; CALCULATION METHODS; COHERENT SCATTERING; DIFFRACTION; HADRON REACTIONS; MATERIALS; NUCLEAR REACTIONS; NUCLEON REACTIONS; QUASI PARTICLES; SCATTERING

Optional Information

Notes
(c) 2007 American Institute of Physics