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

Abstract

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.

6 pages, 5 figures

References in corpus (5)

• Efficient implementation of the GW approximation within the all-electron FLAPW method
• Non-quasiparticle states in Co${}_2$MnSi evidenced through magnetic tunnel junction spectroscopy measurements
• Electron correlations in Co${}_2$Mn${}_{1-x}$Fe${}_x$Si Heusler compounds
• Electronic structure of fully epitaxial Co2TiSn thin films
• High energy, high resolution photoelectron spectroscopy of Co2Mn(1-x)Fe(x)Si

Cited by in corpus (11)

• A New Spin Gapless Semiconductors Family: Quaternary Heusler Compounds
• Large magneto-Seebeck effect in magnetic tunnel junctions with half-metallic Heusler electrodes
• Correlation effects on ground-state properties of ternary Heusler alloys: first-principles study
• Monitoring surface resonances on Co2MnSi(100) by spin-resolved photoelectron spectroscopy
• Surface resonance of the Heusler half metal Co2MnSi probed by SX-ARPES
• Prediction of a Heusler alloy with switchable metal-to-half-metal behavior
• Exchange-correlation corrections for electronic properties of half-metallic Co${}_2$FeSi and nonmagnetic semiconductor CoFeTiAl
• First-principles prediction of energy band gaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation
• Spin Dependent Lifetimes and Spin-orbit Hybridization Points in Heusler Compounds
• All electron GW with linearized augmented plane waves for metals and semiconductors
• Effects of intrinsic defects and alloying with Fe on the half-metallicity of Co${}_2$MnSi