Home > Publications database > Design of L 2 1 -type antiferromagnetic semiconducting full-Heusler compounds: A first principles DFT +  GW study > print

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100 1 _ |a Tas, M.
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245 _ _ |a Design of L 2 1 -type antiferromagnetic semiconducting full-Heusler compounds: A first principles DFT +  GW study
260 _ _ |a Melville, NY
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|b American Inst. of Physics
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520 _ _ |a Antiferromagnetic spintronics is an on-going growing field of research. Employing both standard density functional theory and the GW approximation within the framework of the full-potential linearized augmented-plane-wave method, we study the electronic and magnetic properties of seven potential antiferromagnetic semiconducting Heusler compounds with 18 (or 28 when Zn is present) valence electrons per unit cell. We show that in these compounds G-type antiferromagnetism is the ground state and that they are all either semiconductors (Cr2ScP, Cr2TiZn, V2ScP, V2TiSi, and V3Al) or semimetals (Mn2MgZn and Mn2NaAl). The many-body corrections have a minimal effect on the electronic band structure with respect to the standard electronic structure calculations
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700 1 _ |a Şaşıoğlu, E.
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700 1 _ |a Friedrich, Christoph
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700 1 _ |a Blügel, S.
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700 1 _ |a Galanakis, I.
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773 _ _ |a 10.1063/1.4975351
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