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@ARTICLE{Hanke:842668,
author = {Hanke, Jan-Philipp and Freimuth, Frank and Blügel, Stefan
and Mokrousov, Yuriy},
title = {{H}igher-dimensional {W}annier {I}nterpolation for the
{M}odern {T}heory of the {D}zyaloshinskii–{M}oriya
{I}nteraction: {A}pplication to {C}o-based {T}rilayers},
journal = {Journal of the Physical Society of Japan},
volume = {87},
number = {4},
issn = {1347-4073},
address = {Tokyo},
publisher = {The Physical Society of Japan},
reportid = {FZJ-2018-00875},
pages = {041010},
year = {2018},
abstract = {We present an advanced first-principles formalism to
evaluate the Dzyaloshinskii–Moriya interaction (DMI) in
its modern theory as well as Berry curvatures in complex
spaces based on a higher-dimensional Wannier interpolation.
Our method is applied to the Co-based trilayer systems
IrδPt1−δ/Co/Pt and AuγPt1−γ/Co/Pt, where we gain
insights into the correlations between the electronic
structure and the DMI, and we uncover prominent sign changes
of the chiral interaction with the overlayer composition.
Beyond the discussed phenomena, the scope of applications of
our Wannier-based scheme is particularly broad as it is
ideally suited to study efficiently the Hamiltonian
evolution under the slow variation of very general
parameters.},
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) /
Topological transport in real materials from ab initio
$(jias12_20121101)$},
pid = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143 /
$G:(DE-Juel1)jias12_20121101$},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000425148600005},
doi = {10.7566/JPSJ.87.041010},
url = {https://juser.fz-juelich.de/record/842668},
}