Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism

Meinert M, Schmalhorst J-M, Glas M, Reiss G, Arenholz E, Boehnert T, Nielsch K (2012)
Physical Review B 86(5).

Journal Article | Published | English

No fulltext has been uploaded

Author
; ; ; ; ; ;
Abstract
Experimental evidence both for and against a half-metallic ground state of the Heusler compound Co2FeSi has been published. Density-functional-theory-based calculations suggest a non-half-metallic ground state. It has been argued that on-site Coulomb interaction of the d electrons has to be taken into account via the LDA+U method, which predicts a half-metallic ground state for U approximate to 2.5,...,4.5 eV. X-ray magnetic linear dichroism (XMLD) can be used as a tool to assess the appropriateness of the LDA+U approach: The calculated spectra within the LDA+U or GGA+U schemes are different from those within the LDA or GGA. Due to its ability to separate different orbital symmetries, XMLD allows us to distinguish between different models of the electronic structure of Co2FeSi. In this article we discuss experimental XMLD spectra and compare them with detailed first-principles calculations. Our findings give evidence for the inadequacy of the LDA+U or GGA+U band structures, whereas constrained calculations with the GGA and a fixed spin moment of 6 mu(B) give better overall agreement between experiment and theory.
Publishing Year
ISSN
eISSN
PUB-ID

Cite this

Meinert M, Schmalhorst J-M, Glas M, et al. Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism. Physical Review B. 2012;86(5).
Meinert, M., Schmalhorst, J. - M., Glas, M., Reiss, G., Arenholz, E., Boehnert, T., & Nielsch, K. (2012). Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism. Physical Review B, 86(5).
Meinert, M., Schmalhorst, J. - M., Glas, M., Reiss, G., Arenholz, E., Boehnert, T., and Nielsch, K. (2012). Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism. Physical Review B 86.
Meinert, M., et al., 2012. Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism. Physical Review B, 86(5).
M. Meinert, et al., “Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism”, Physical Review B, vol. 86, 2012.
Meinert, M., Schmalhorst, J.-M., Glas, M., Reiss, G., Arenholz, E., Boehnert, T., Nielsch, K.: Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism. Physical Review B. 86, (2012).
Meinert, Markus, Schmalhorst, Jan-Michael, Glas, Manuel, Reiss, Günter, Arenholz, Elke, Boehnert, Tim, and Nielsch, Kornelius. “Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism”. Physical Review B 86.5 (2012).
This data publication is cited in the following publications:
This publication cites the following data publications:

Export

0 Marked Publications

Open Data PUB

Web of Science

View record in Web of Science®

Sources

arXiv 1201.6263

Search this title in

Google Scholar