Scheme for calculating the electronic structure of polar surfaces

Authors
Mankefors, S
Citation
S. Mankefors, Scheme for calculating the electronic structure of polar surfaces, PHYS REV B, 59(20), 1999, pp. 13151-13156
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
59
Issue
20
Year of publication
1999
Pages
13151 - 13156
Database
ISI
SICI code
0163-1829(19990515)59:20<13151:SFCTES>2.0.ZU;2-0
Abstract
A method for calculating the electronic structure at polar surfaces, based on a symmetric slab approach with column IV atoms at the center of the pola r double slab, is introduced. Ab initio calculations with this method retur n very good results. Four different III-V (111) surfaces are compared, with corresponding results obtained by the pseudohydrogen termination method. [ S0163-1829(99)02920-3].