On the nonideal atom arrangements at the W (001) surface

✍ Scribed by Štěpán Pick; Mojmír Tomášek; Marco U. Luchini

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 310 KB
• Volume: 177
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(91)90173-7

✦ Synopsis

Various nonideal atom arrangements (steps, vacancy, adatoms. etc.) at the W(OO1) surface are studied within a simple LCAO scheme. All the atoms reside in the ideal bulk-like positions. It appaers that the energy differences can be related to two-and threebody interactions, which are approximately additive for atoms with a fixed number of first-nearest neighbours. The ideal (1 x 1) surface is less stable than some of its defect forms. The most probable mechanism of stabilization near the step edges seems to be an expansion.