Bulk and surface electronic structure of NiO and CoO: a comparative ab initio LSDA+U analysis and application to the interpretation of STM images

Authors
Dudarev, SL Castell, MR Briggs, GAD Sutton, AP
Citation
Sl. Dudarev et al., Bulk and surface electronic structure of NiO and CoO: a comparative ab initio LSDA+U analysis and application to the interpretation of STM images, PHYSICA B, 261, 1999, pp. 717-718
Citations number
3
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA B
ISSN journal
09214526 → ACNP
Volume
261
Year of publication
1999
Pages
717 - 718
Database
ISI
SICI code
0921-4526(199901)261:<717:BASESO>2.0.ZU;2-P
Abstract
Atomically resolved scanning tunneling microscope images of (001) cobalt an d nickel monoxide surfaces are interpreted on the basis of LSDA + U surface electronic structure calculations. Different symmetry of dangling unoccupi ed d-bonds on CoO(0 0 1) and NiO(0 0 1) explains the origin of an order of magnitude difference in the contrast of tunnelling images observed for the two surfaces. (C) 1999 Elsevier Science B.V. All rights reserved.