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.

arXiv comment6 pages, 5 figures

References in corpus (13)

• Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys
• The GW method
• Quasiparticle Self-Consistent GW Theory
• Properties of the quaternary half-metal-type Heusler alloy Co${}_2$Mn${}_{1-x}$Fe${}_x$Si
• 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
• Nonquasiparticle states in half-metallic ferromagnet NiMnSb
• 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
• Electronic Structure of Transition Metals Fe, Ni and Cu in the GW Approximation
• Majority-spin non-quasiparticle states in half-metallic ferrimagnet Mn${}_2$VAl
• Insights into the electronic structure of Co2FeSi from x-ray magnetic linear dichroism

Cited by in corpus (20)

• A New Spin Gapless Semiconductors Family: Quaternary Heusler Compounds
• Direct evidence for minority spin gap in the Co2MnSi Heusler alloy
• Ab-initio calculation of the effective on-site Coulomb interaction parameters for half-metallic magnets
• 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
• Spincaloric properties of epitaxial Co${}_2$MnSi/MgO/Co${}_2$MnSi magnetic tunnel junctions
• Effect of the double-counting functional on the electronic and magnetic properties of half-metallic magnets using the GGA+U method
• A first-principles DFT+GW study of spin-filter and spin-gapless semiconducting Heusler compounds
• Monitoring surface resonances on Co2MnSi(100) by spin-resolved photoelectron spectroscopy
• Tunnel magneto-Seebeck effect
• Band structure tuning of Heusler compounds revisited: Spin- and momentum-resolved electronic structure analysis of compounds with different band filling
• Quasiparticle band structure of the almost-gapless transition-metal-based Heusler semiconductors
• Surface resonance of the Heusler half metal Co2MnSi probed by SX-ARPES
• Plasmon dispersions in simple metals and Heusler compounds
• 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