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
Electronic structure, cohesive properties, and magnetism of SrRuO3
Uppsala universitet, Department of Physics and Astronomy, Uppsala University.
Uppsala universitet, Department of Physics and Astronomy, Uppsala University.
Uppsala universitet, Department of Physics and Astronomy, Uppsala University.
Uppsala universitet, Department of Physics and Astronomy, Uppsala University.
Show others and affiliations
2014 (English)In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 90, article id 165130Article in journal (Refereed) Published
Abstract [en]

We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation + Hubbard U, and local density approximation + dynamic mean field theory to describe magnetic and electronic properties of SrRuO3. We focus on the ferromagnetic phase, illustrating differences between the orthorhombic low-temperature structure versus the cubic high-temperature structure. We assess how magnetism, spectral function, and cohesive properties are affected by methodology, onsite Hubbard U, and double-counting corrections. Further, we compare the impact of the impurity solver on the quasiparticle weight Z, which is in turn compared to experimental results. The spectral functions resulting from the different treatments are also compared to experimental data. Finally, the impact of spin-orbit coupling is studied, allowing us to determine the orbital moments. In the orthorhombic phase, the orbital moments are found to be tilted with respect to the spin moments, emphasizing the importance of taking into account the distortion of the oxygen octahedra

Place, publisher, year, edition, pages
2014. Vol. 90, article id 165130
National Category
Other Physics Topics
Research subject
Applied Physics
Identifiers
URN: urn:nbn:se:ltu:diva-6571DOI: 10.1103/PhysRevB.90.165130Local ID: 4d0d86d4-9635-4a49-8ad0-3d558e6bead6OAI: oai:DiVA.org:ltu-6571DiVA, id: diva2:979457
Note

Upprättat; 2014; 20150820 (coretz)

Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-12-14Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records BETA

Etz, Corina

Search in DiVA

By author/editor
Etz, Corina
In the same journal
Physical Review B Condensed Matter
Other Physics Topics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 904 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