GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi

Meinert M, Friedrich C, Reiss G, Bluegel S (2012)
Physical Review B 86(24): 245115.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi Heusler compounds have been calculated within the one-shot GW approximation in an all-electron framework without adjustable parameters. For Co2FeSi the many-body corrections are crucial: a pseudogap opens and good agreement of the magnetic moment with experiment is obtained. Otherwise, however, the changes with respect to the density-functional-theory starting point are moderate. For both cases we find that photoemission and x-ray absorption spectra are well described by the calculations. By comparison with the GW density of states, we conclude that the Kohn-Sham eigenvalue spectrum provides a reasonable approximation for the quasiparticle spectrum of the Heusler compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115
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Zeitschriftentitel
Physical Review B
Band
86
Zeitschriftennummer
24
Artikelnummer
245115
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Meinert M, Friedrich C, Reiss G, Bluegel S. GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi. Physical Review B. 2012;86(24): 245115.
Meinert, M., Friedrich, C., Reiss, G., & Bluegel, S. (2012). GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi. Physical Review B, 86(24), 245115. doi:10.1103/PhysRevB.86.245115
Meinert, M., Friedrich, C., Reiss, G., and Bluegel, S. (2012). GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi. Physical Review B 86:245115.
Meinert, M., et al., 2012. GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi. Physical Review B, 86(24): 245115.
M. Meinert, et al., “GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi”, Physical Review B, vol. 86, 2012, : 245115.
Meinert, M., Friedrich, C., Reiss, G., Bluegel, S.: GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi. Physical Review B. 86, : 245115 (2012).
Meinert, Markus, Friedrich, Christoph, Reiss, Günter, and Bluegel, Stefan. “GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi”. Physical Review B 86.24 (2012): 245115.

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arXiv: 1210.4776

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