Journal Article

FZJ-2017-01578

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Design of L 2 1 -type antiferromagnetic semiconducting full-Heusler compounds: A first principles DFT +  GW study

Tas, M. ; Şaşıoğlu, E. ; Friedrich, C.FZJ* ; Blügel, S.FZJ* ; Galanakis, I. (Corresponding author)

2017
American Inst. of Physics Melville, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/16855  doi:10.1063/1.4975351

Abstract: 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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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)
4. JARA - HPC (JARA-HPC)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2017

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Database coverage:
; ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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