https://www.mdu.se/

mdu.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
ALPHA-SIC(0001)ROOT-3XROOT-3 SURFACE, POSSIBLE MODELS FOR THE RECONSTRUCTION
Mälardalen University.
1995 (English)In: Surface Science, ISSN 0039-6028, E-ISSN 1879-2758, Vol. 337, no 1-2, p. 1-7Article in journal (Refereed) Published
Abstract [en]

The paper presents an analysis of the energetics of a few possible candidates for the structural model of the root 3 x root 30 degrees reconstruction of the alpha-SiC(0001) surface. The analysis is based on the semi-empirical, self-consistent, quantum mechanical cluster calculations of MNDO type (AMI parametrization). Models allowing clean stoichiometric, Si rich and C rich as well as hydrogenated surfaces were tested. The results indicate that, unlike in most cases with semiconductor surfaces, here, hydrogenation of the surface facilitates the reconstruction instead of lifting it. The most favourable model for the reconstruction from the calculated surface energy point of view is the one where hydrogenated triangles of C atoms saturate the surface silicon dangling bonds. The structure resembles that of cyclopropane with three of the C-H bonds substituted by the C-Si bonds.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 1995. Vol. 337, no 1-2, p. 1-7
Keywords [en]
ADATOMS, CLUSTERS, SEMIEMPIRICAL MODELS AND MODEL CALCULATIONS, SILICON CARBIDE, SURFACE RELAXATION AND RECONSTRUCTION
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:mdh:diva-66933DOI: 10.1016/0039-6028(95)00548-XISI: A1995RQ74900010Scopus ID: 2-s2.0-0029352223OAI: oai:DiVA.org:mdh-66933DiVA, id: diva2:1881457
Available from: 2024-07-03 Created: 2024-07-03 Last updated: 2024-07-03Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus
By organisation
Mälardalen University
In the same journal
Surface Science
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 11 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf