Sb-induced (1×1) reconstruction on Si(001)

Power, JR; Pulci, O; Shkrebtii, AI; Galata, S; Astropekakis, A; Hinrichs, K; Esser, N; Del Sole, R; Richter, W

dc.contributor.author	Power, JR	en
dc.contributor.author	Pulci, O	en
dc.contributor.author	Shkrebtii, AI	en
dc.contributor.author	Galata, S	en
dc.contributor.author	Astropekakis, A	en
dc.contributor.author	Hinrichs, K	en
dc.contributor.author	Esser, N	en
dc.contributor.author	Del Sole, R	en
dc.contributor.author	Richter, W	en
dc.date.accessioned	2014-03-01T01:19:30Z
dc.date.available	2014-03-01T01:19:30Z
dc.date.issued	2003	en
dc.identifier.issn	1098-0121	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/15541
dc.relation.uri	http://www.scopus.com/inward/record.url?eid=2-s2.0-0037542554&partnerID=40&md5=23ff738d353ed0c5691611815be70da4	en
dc.subject.classification	Physics, Condensed Matter	en
dc.subject.other	antimony	en
dc.subject.other	silicon	en
dc.subject.other	ab initio calculation	en
dc.subject.other	adsorption	en
dc.subject.other	anisotropy	en
dc.subject.other	article	en
dc.subject.other	electron diffraction	en
dc.subject.other	energy	en
dc.subject.other	pressure	en
dc.subject.other	reflectometry	en
dc.subject.other	surface property	en
dc.subject.other	thermodynamics	en
dc.subject.other	vacuum	en
dc.title	Sb-induced (1×1) reconstruction on Si(001)	en
heal.type	journalArticle	en
heal.identifier.secondary	115315	en
heal.language	English	en
heal.publicationDate	2003	en
heal.abstract	We combine low-energy electron diffraction and reflectance anisotropy spectroscopy (RAS) with ab initio calculations of the geometry, band structure, and optical anisotropy to investigate the adsorption of Sb on vicinal Si(001) (1 × 2). We focus, in particular, on the controversy concerning the Si(001)-(1 × 1)-Sb surface. On the basis of total-energy and band-structure calculations, we find that the Sb-undimerised model is unstable and metallic, while experimentally the (1 × 1) Sb shows no evidence of a Fermi edge. In contrast, the dimerised (2 × 1)-Sb and c(2 × 2)-Sb reconstructions are found to be semiconducting with a minimal difference in total energy. Furthermore, the RAS spectra calculated for both dimerised reconstructions show strong similarities to one another, and agree well with the experimental RAS data for the Sb-induced (1 × 1)-Sb surface, with a dominant feature centered at 3.7 eV. We report that these findings are compatible with the (1 × 1)-Sb surface comprising a mixture of the Sb-dimer-terminated (2 × 1)-Sb and c(2 × 2)-Sb structures.	en
heal.publisher	AMERICAN PHYSICAL SOC	en
heal.journalName	Physical Review B - Condensed Matter and Materials Physics	en
dc.identifier.isi	ISI:000182035100091	en
dc.identifier.volume	67	en
dc.identifier.issue	11	en
dc.identifier.spage	1153151	en
dc.identifier.epage	1153155	en