This title appears in the Scientific Report :
2017
Please use the identifier:
http://dx.doi.org/10.1063/1.4975351 in citations.
Please use the identifier: http://hdl.handle.net/2128/16855 in citations.
Design of L 2 1 -type antiferromagnetic semiconducting full-Heusler compounds: A first principles DFT + GW study
Design of L 2 1 -type antiferromagnetic semiconducting full-Heusler compounds: A first principles DFT + GW study
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 ant...
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Personal Name(s): | Tas, M. |
---|---|
Şaşıoğlu, E. / Friedrich, Christoph / Blügel, S. / Galanakis, I. (Corresponding author) | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 JARA - HPC; JARA-HPC JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; PGI-1 |
Published in: | Journal of applied physics, 121 (2017) 5, S. 053903 |
Imprint: |
Melville, NY
American Inst. of Physics
2017
|
DOI: |
10.1063/1.4975351 |
Document Type: |
Journal Article |
Research Program: |
Controlling Configuration-Based Phenomena Controlling Spin-Based Phenomena |
Link: |
Published on 2017-02-06. Available in OpenAccess from 2018-02-06. Published on 2017-02-06. Available in OpenAccess from 2018-02-06. |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/16855 in citations.
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 |