hig.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard-cite-them-right
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • sv-SE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • de-DE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Surface energies and work functions of the transition metal carbides
Department of Physics, Uppsala University; Department of Materials Science and Engineering, Royal Institute of Technology.ORCID iD: 0000-0001-8748-3890
Department of Physics, Uppsala University.
Department of Materials Chemistry, Uppsala University.
Center for Atomic-Scale Materials Physics and Department of Physics, Technical University of Denmar.
Show others and affiliations
2004 (English)In: Surface Science, ISSN 0039-6028, E-ISSN 1879-2758, Vol. 557, no 1-3, p. 243-254Article in journal (Refereed) Published
Abstract [en]

We have performed an ab initio study of the surface energies, surface electronic structures and work functions for the (1 0 0) surface of the, existent and hypothetical, cubic 3d (Sc–Cu), 4d (Zr–Ag) and 5d (La–Au) transition metal carbides. The calculated surface energies have been compared to predictions using a so-called bond-cutting model and a model based on the so-called bonding energies. The absolute values and rough trends of the surface energies are fairly well predicted within the simple bond-cutting model, as compared to fully self-consistent calculations, while both trends and absolute values are well reproduced within the bonding energy model. The electronic structure (densities of states) of the transition metal carbides at the surface and in the bulk have been calculated. The trends are discussed in relation to the behavior of the surface energy and the work function across the series.

Place, publisher, year, edition, pages
Elsevier , 2004. Vol. 557, no 1-3, p. 243-254
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:hig:diva-40417DOI: 10.1016/j.susc.2004.03.050OAI: oai:DiVA.org:hig-40417DiVA, id: diva2:1710552
Available from: 2022-11-14 Created: 2022-11-14 Last updated: 2022-11-14Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records

Hugosson, Håkan Wilhelm

Search in DiVA

By author/editor
Hugosson, Håkan Wilhelm
In the same journal
Surface Science
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 71 hits
CiteExportLink to record
Permanent link

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