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• W2760211094 abstract "We present a study of the electronic structure and magnetism of Co$_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co$_2$MnAl is a half-metallic ferromagnet, whose electronic and magnetic properties are not drastically changed by strong electronic correlations, static or dynamic. Non-quasiparticle states are shown to appear in the minority spin gap without affecting the spin-polarization at the Fermi level predicted by standard DFT. We find that CoMnVAl is a semiconductor or a semi-metal, depending on the employed computational approach. We then focus on the electronic and magnetic properties of the Co$_2$MnAl/CoMnVAl heterostructure, predicted by previous first principle calculations as a possible candidate for spin-injecting devices. We find that two interfaces, Co-Co/V-Al and Co-Mn/Mn-Al, preserve the half-metallic character, with and without including electronic correlations. We also analyse the magnetic exchange interactions in the bulk and at the interfaces. At the Co-Mn/Mn-Al interface, competing magnetic interactions are likely to favor the formation of a non-collinear magnetic order, which is detrimental for the spin-polarization." @default.
• W2760211094 created "2017-10-06" @default.
• W2760211094 creator A5059883201 @default.
• W2760211094 creator A5061671846 @default.
• W2760211094 creator A5062314972 @default.
• W2760211094 creator A5073738564 @default.
• W2760211094 creator A5087582499 @default.
• W2760211094 date "2018-01-04" @default.
• W2760211094 modified "2023-10-16" @default.
• W2760211094 title "Half-metallicity and magnetism in the <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi>Co</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>MnAl</mml:mi><mml:mo>/</mml:mo><mml:mi>CoMnVAl</mml:mi></mml:mrow></mml:math> heterostructure" @default.
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• W2760211094 doi "https://doi.org/10.1103/physrevb.97.035105" @default.
• W2760211094 hasPublicationYear "2018" @default.
• W2760211094 type Work @default.
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