Nonlocal Interactions in the Double Perovskite Sr2FeMoO6 from Core-Level X‐ray SpectroscopyShow others and affiliations
2021 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 125, p. 11249-11256Article in journal (Refereed) Published
Abstract [en]
The valence electronic structure of the half-metallicdouble perovskite Sr2FeMoO6 forms from a strongly hybridizedband in the spin-down channel of Fe 3d and Mo 4d states thatprovides metallic conductivity and a gapped spin-up channel. Theground-state description has previously been explored in terms ofmany-body interactions where local and nonlocal interactionsproduce states with a combination of a charge-transferconfiguration and intersite charge fluctuations. Here, we providea qualitative understanding on nonlocal effects in Sr2FeMoO6using a combination of core-level X-ray spectroscopies, specificallyX-ray absorption, emission, and photoelectron spectroscopies. Ourspectroscopic data indicate intersite Fe 4p−O 2p−Mo 4dinteractions to be the origin of these nonlocalized transitions.Close to the Fermi level, this interaction is dominated by Mo 4d−O 2p character. When our data are compared against first- principles electronic structure calculations, we conclude that a full understanding of the nature of these states requires a spin-resolved description of the hybridization functions and that the nonlocal screening occurs predominantly through hybridization in the minority spin channel of the Mo 4d bands.
Place, publisher, year, edition, pages
American Chemical Society (ACS) , 2021. Vol. 125, p. 11249-11256
Keywords [en]
double perovskite, X-ray absorption spectroscopy, hard X-ray photoemission spectroscopy
National Category
Condensed Matter Physics
Research subject
Physics, Material and Nano Physics
Identifiers
URN: urn:nbn:se:kth:diva-298985DOI: 10.1021/acs.jpcc.1c02580ISI: 000657357100045Scopus ID: 2-s2.0-85106393948OAI: oai:DiVA.org:kth-298985DiVA, id: diva2:1581722
Note
QC 20210810
2021-07-242021-07-242023-11-13Bibliographically approved