Magnetism of the V(001) surface in the generalized gradient approximation

Authors
Bryk, T Bylander, DM Kleinman, L
Citation
T. Bryk et al., Magnetism of the V(001) surface in the generalized gradient approximation, PHYS REV B, 61(6), 2000, pp. R3780-R3783
Citations number
32
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
6
Year of publication
2000
Pages
R3780 - R3783
Database
ISI
SICI code
1098-0121(20000201)61:6<R3780:MOTVSI>2.0.ZU;2-T
Abstract
Using the generalized gradient approximation we have calculated the magneti c properties of a seven layer V(001) film at the experimental lattice const ant with and without a -6.25% surface relaxation. With the relaxed film we found a magnetization of 1.452 mu(B), for the surface atom and antiparallel magnetizations of -0.698 mu(B), -0.352 mu(B), and -0.149 mu(B) on the subs urface atoms. This contrasts with a local spin-density approximation calcul ation which found no surface magnetization.