Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • 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
Ab initio calculation of the local vibratory modes of interstitial oxygen in silicon
University of Exeter.
University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
1992 (English)In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 45, no 19, p. 11321-11323Article in journal (Refereed) Published
Abstract [en]

A local-density-functional cluster method is used to calculate the structure and vibrational modes of interstitial oxygen in silicon. We find Si-O lengths and the Si-O-Si bond angle to be 1.59 Å and 172°, respectively. The asymmetric and symmetric stretch frequencies are 1104 and 554 cm-1 and are close to observed modes at 1136 and 518 cm-1. The effective charge of the upper mode is 3.5e. Isotopic shifts of the modes are also reported. We find that the symmetric stretch mode at 554 cm-1 is independent of the O-isotopic mass in agreement with observation.

Place, publisher, year, edition, pages
1992. Vol. 45, no 19, p. 11321-11323
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-4628DOI: 10.1103/PhysRevB.45.11321ISI: A1992HU79900056Scopus ID: 2-s2.0-0000111691Local ID: 299e6de0-1abe-11dd-8c59-000ea68e967bOAI: oai:DiVA.org:ltu-4628DiVA, id: diva2:977502
Note
Godkänd; 1992; 20080505 (ysko)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus

Authority records BETA

Öberg, Sven

Search in DiVA

By author/editor
Öberg, Sven
By organisation
Mathematical Science
In the same journal
Physical Review B Condensed Matter
Computational Mathematics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 19 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • 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