uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • 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
First-principles study of point defects at a semicoherent interface
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Show others and affiliations
2014 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 4, 7567- p.Article in journal (Refereed) Published
Abstract [en]

Most of the atomistic modeling of semicoherent metal-metal interfaces has so far been based on the use of semiempirical interatomic potentials. We show that key conclusions drawn from previous studies are in contradiction with more precise ab-initio calculations. In particular we find that single point defects do not delocalize, but remain compact near the interfacial plane in Cu-Nb multilayers. We give a simple qualitative explanation for this difference on the basis of the well known limited transferability of empirical potentials.

Place, publisher, year, edition, pages
2014. Vol. 4, 7567- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-242391DOI: 10.1038/srep07567ISI: 000346717800003OAI: oai:DiVA.org:uu-242391DiVA: diva2:783488
Available from: 2015-01-26 Created: 2015-01-26 Last updated: 2017-12-05Bibliographically approved

Open Access in DiVA

fulltext(837 kB)62 downloads
File information
File name FULLTEXT01.pdfFile size 837 kBChecksum SHA-512
d2d0966aa5b9541f2f46d9bb3413c740d66af6068ec16c046deea5aef2ee9c9ac862835611c28ab3d607d178d927de66debed3382f16dfcf204e137828251e05
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Authority records BETA

Metsanurk, ErikKlintenberg, Mattias

Search in DiVA

By author/editor
Metsanurk, ErikKlintenberg, Mattias
By organisation
Materials Theory
In the same journal
Scientific Reports
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 62 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 380 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • 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