liu.seSearch for publications in DiVA
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • 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
Importance of electronic correlations for structural and magnetic properties of the iron pnictide superconductor LaFeAsO
Graz University of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics . Linköping University, The Institute of Technology.
Ecole Polytech.
2011 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 84, no 5, 054529- p.Article in journal (Refereed) Published
Abstract [en]

We present calculations of structural and magnetic properties of the iron-pnictide superconductor LaFeAsO including electron-electron correlations. For this purpose we apply a fully charge self-consistent combination of density-functional theory with the dynamical mean-field theory, allowing for the calculation of total energies. We find that the inclusion of correlation effects gives a good agreement of the arsenic z position with experimental data even in the paramagnetic (high-temperature) phase. Going to low temperatures, we study the formation of the ordered moment in the striped spin-density-wave phase, yielding an ordered moment of about 0.60 mu(B), again in good agreement with experiments. This shows that the inclusion of correlation effects improves both structural and magnetic properties of LaFeAsO at the same time.

Place, publisher, year, edition, pages
American Physical Society , 2011. Vol. 84, no 5, 054529- p.
National Category
Medical and Health Sciences
Identifiers
URN: urn:nbn:se:liu:diva-70217DOI: 10.1103/PhysRevB.84.054529ISI: 000293773800015OAI: oai:DiVA.org:liu-70217DiVA: diva2:437001
Note
Original Publication: Markus Aichhorn, Leonid Pourovskii and Antoine Georges, Importance of electronic correlations for structural and magnetic properties of the iron pnictide superconductor LaFeAsO, 2011, Physical Review B. Condensed Matter and Materials Physics, (84), 5, 054529. http://dx.doi.org/10.1103/PhysRevB.84.054529 Copyright: American Physical Society http://www.aps.org/ Available from: 2011-08-26 Created: 2011-08-26 Last updated: 2017-12-08

Open Access in DiVA

fulltext(451 kB)245 downloads
File information
File name FULLTEXT01.pdfFile size 451 kBChecksum SHA-512
898cd9c8fa28bfe2b06d29de6430b47e929a417d0ca095f576e6f68499a82326d43f2474c1ef69f96cb315e778cd86eba6b2343b83568c9113ab6c305f120f2d
Type fulltextMimetype application/pdf

Other links

Publisher's full text
By organisation
Theoretical Physics The Institute of Technology
In the same journal
Physical Review B. Condensed Matter and Materials Physics
Medical and Health Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 245 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: 125 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • 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