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https://doi.org/10.1103/physre...
Article . 2003 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2003
License: arXiv Non-Exclusive Distribution
Data sources: Datacite
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Electronic structure of half-metallic double perovskites

Authors: Szotek, Z.; Temmerman, W. M.; Svane, A.; Petit, L.; Winter, H.;

Electronic structure of half-metallic double perovskites

Abstract

We present the self-interaction corrected local spin density (SIC-LSD) electronic structure and total energy calculations, leading also to valencies of the ground state configurations, for the half-metallic double perovskites such as Sr$_{2}$FeMoO$_{6}$, Ba$_{2}$FeMoO$_{6}$, Ca$_{2}$FeMoO$_{6}$, and Ca$_{2}$FeReO$_{6}$. We conclude that the Fe and Mo (or Re) spin magnetic moments are anti-parallel aligned, and the magnitude of the hybridization induced moment on Mo does not vary much between the different compounds. The hybridization spin magnetic moment on Re is of the order of -1.1 $��_{B}$, while that on Mo is about -0.4 $��_{B}$, independently of the alkaline earth element. Also the electronic structure of all the compounds studied is very similar, with a well defined gap in the majority spin component and metallic density of states for the minority spin component, with highly hybridized Fe, Mo (or Re), and oxygen bands.

6 pages, 2 figures

Country
Germany
Keywords

Condensed Matter - Strongly Correlated Electrons, Strongly Correlated Electrons (cond-mat.str-el), Physics, ddc:530, FOS: Physical sciences, info:eu-repo/classification/ddc/530, 530

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
73
Top 10%
Top 10%
Top 10%
Green
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