PHONON MODES FOR THE SYMMETRICAL AND ASYMMETRIC DIMER MODELS OF THE SI(001)(2X1) SURFACE

Authors
TUTUNCU HM JENKINS SJ SRIVASTAVA GP
Citation
Hm. Tutuncu et al., PHONON MODES FOR THE SYMMETRICAL AND ASYMMETRIC DIMER MODELS OF THE SI(001)(2X1) SURFACE, Surface science, 377(1-3), 1997, pp. 335-338
Citations number
16
Categorie Soggetti
Chemistry Physical
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
377
Issue
1-3
Year of publication
1997
Pages
335 - 338
Database
ISI
SICI code
0039-6028(1997)377:1-3<335:PMFTSA>2.0.ZU;2-4
Abstract
We present a study of the phonon modes for the symmetric and asymmetri c dimer models of the Si(001)(2 x 1) surface calculated within the adi abatic bond-charge model. The structural models used in this work were obtained from ab initio pseudopotential total energy calculations, wh ich favour the asymmetric dimer configuration, in line with recent the oretical consensus.