Published January 24, 2007 | Version v1
Journal article Metadata-only

Quasiparticle and optical properties of BeH2

Creators

  • 1. Department of Physics, Uppsala University, SE-75121 Uppsala (Sweden)
  • 2. Groupe Matiere condensee et Materiaux (GMCM), Campus de Beaulieu, Batiment 11A, 35042 Rennes cedex (France)
  • 3. Institut de Physique et de Chimie des Materiaux de Strasbourg, UMR 7504 CNRS-ULP, 23 rue du Loess, 67034 Strasbourg (France)

Description

The quasiparticle and optical properties of BeH2 are computed by means of the all-electron GW approximation in conjunction with the projector augmented wave (PAW) method. The GW approximation, through the calculation of the self-energy and the optical dielectric function in the random phase approximation, shows that BeH2 is a large band gap insulator. The results are discussed in view of future experiments

Additional details

Identifiers

DOI
10.1088/0953-8984/19/3/036223;
PII
S0953-8984(07)34468-8;

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
19
Journal Issue
3
Journal Page Range
p. 036223
ISSN
0953-8984
CODEN
JCOMEL

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
38083876
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
BERYLLIUM HYDRIDES; DIELECTRIC MATERIALS; ELECTRONS; OPTICAL PROPERTIES; PERMITTIVITY; QUASI PARTICLES; RANDOM PHASE APPROXIMATION; SELF-ENERGY
Descriptors DEC
ALKALINE EARTH METAL COMPOUNDS; APPROXIMATIONS; BERYLLIUM COMPOUNDS; CALCULATION METHODS; DIELECTRIC PROPERTIES; ELECTRICAL PROPERTIES; ELEMENTARY PARTICLES; ENERGY; FERMIONS; HYDRIDES; HYDROGEN COMPOUNDS; LEPTONS; MATERIALS; PHYSICAL PROPERTIES