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@ARTICLE{Tas:827453,
author = {Tas, M. and Şaşıoğlu, E. and Friedrich, Christoph and
Blügel, S. and Galanakis, I.},
title = {{D}esign of {L} 2 1 -type antiferromagnetic semiconducting
full-{H}eusler compounds: {A} first principles {DFT} +
{GW} study},
journal = {Journal of applied physics},
volume = {121},
number = {5},
issn = {1089-7550},
address = {Melville, NY},
publisher = {American Inst. of Physics},
reportid = {FZJ-2017-01578},
pages = {053903},
year = {2017},
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},
cin = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
ddc = {530},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
$I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
pnm = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
Controlling Configuration-Based Phenomena (POF3-143)},
pid = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000394345700011},
doi = {10.1063/1.4975351},
url = {https://juser.fz-juelich.de/record/827453},
}