THEORY OF THE HONEYCOMB CHAIN-CHANNEL RECONSTRUCTION OF M SI(111)-(3X1)/

Citation
Sc. Erwin et Hh. Weitering, THEORY OF THE HONEYCOMB CHAIN-CHANNEL RECONSTRUCTION OF M SI(111)-(3X1)/, Physical review letters, 81(11), 1998, pp. 2296-2299
Citations number
15
Categorie Soggetti
Physics
Journal title
ISSN journal
00319007
Volume
81
Issue
11
Year of publication
1998
Pages
2296 - 2299
Database
ISI
SICI code
0031-9007(1998)81:11<2296:TOTHCR>2.0.ZU;2-P
Abstract
First-principles electronic-structure methods are used to study a stru ctural model for Ag/Si(111)-(3 x 1), recently proposed on the basis of transmission electron diffraction data. The fully relaxed geometry fo r this model is far more energetically favorable than any previously p roposed, partly due to the unusual formation of a Si double bond in th e surface layer. The calculated electronic properties of this model ar e in complete agreement with data from angle-resolved photoemission an d scanning tunneling microscopy.