Band structures of rare gas solids within the GW approximation
Citation:
S. Galamic-Mulaomerovic and C.H. Patterson, Band structures of rare gas solids within the GW approximation, Physical Review B, 71, 2005, 195103-1 - 195103-8Download Item:
Abstract:
Band structures for solid rare gases
s
Ne, Ar
d
have been calculated using the
GW
approximation. All electron
and pseudopotential
ab initio
calculations were performed using Gaussian orbital basis sets and the dependence
of particle-hole gaps and electron affinities on basis set and treatment of core electrons is investigated. All
electron
GW
calculations have a smaller particle-hole gap than pseudopotential
GW
calculations by up to
0.2 eV. Quasiparticle electron and hole excitation energies, valence bandwidths and electron affinities are
generally in very good agreement with those derived from optical absorption and photoemission
measurements
Sponsor
Grant Number
Enterprise Ireland
SC/99/267
Higher Education Authority (HEA)
PRTLI-IITAC2
Author's Homepage:
http://people.tcd.ie/cpttrsonDescription:
PUBLISHED
Author: PATTERSON, CHARLES
Sponsor:
Enterprise IrelandHigher Education Authority (HEA)
Type of material:
Journal ArticleCollections
Series/Report no:
Physical Review B71
Availability:
Full text availableKeywords:
PhysicsDOI:
http://dx.doi.org/10.1103/PhysRevB.71.195103Metadata
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