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@INBOOK{Friedrich:156208,
author = {Friedrich, Christoph and Şaşıoğlu, Ersoy and Müller,
Mathias Christian Thomas David and Schindlmayr, Arno and
Blügel, Stefan},
title = {{S}pin {E}xcitations in {S}olids from {M}any-{B}ody
{P}erturbation {T}heory},
volume = {347},
address = {Berlin, Heidelberg},
publisher = {Springer Berlin Heidelberg},
reportid = {FZJ-2014-05048},
isbn = {978-3-642-55067-6 (print)},
series = {Topics in Current Chemistry},
pages = {259 - 301},
year = {2014},
comment = {First Principles Approaches to Spectroscopic Properties of
Complex Materials},
booktitle = {First Principles Approaches to
Spectroscopic Properties of Complex
Materials},
abstract = {Collective spin excitations form a fundamental class of
excitations in magnetic materials. As their energy reaches
down to only a few meV, they are present at all temperatures
and substantially influence the properties of magnetic
systems. To study the spin excitations in solids from first
principles, we have developed a computational scheme based
on many-body perturbation theory within the full-potential
linearized augmented plane-wave (FLAPW) method. The main
quantity of interest is the dynamical transverse spin
susceptibility or magnetic response function, from which
magnetic excitations, including single-particle spin-flip
Stoner excitations and collective spin-wave modes as well as
their lifetimes, can be obtained. In order to describe spin
waves we include appropriate vertex corrections in the form
of a multiple-scattering T matrix, which describes the
coupling of electrons and holes with different spins. The
electron–hole interaction incorporates the screening of
the many-body system within the random-phase approximation.
To reduce the numerical cost in evaluating the four-point T
matrix, we exploit a transformation to maximally localized
Wannier functions that takes advantage of the short spatial
range of electronic correlation in the partially filled d or
f orbitals of magnetic materials. The theory and the
implementation are discussed in detail. In particular, we
show how the magnetic response function can be evaluated for
arbitrary k points. This enables the calculation of smooth
dispersion curves, allowing one to study fine details in the
k dependence of the spin-wave spectra. We also demonstrate
how spatial and time-reversal symmetry can be exploited to
accelerate substantially the computation of the four-point
quantities. As an illustration, we present spin-wave spectra
and dispersions for the elementary ferromagnet bcc Fe,
B2-type tetragonal FeCo, and CrO2 calculated with our
scheme. The results are in good agreement with available
experimental data.},
cin = {IAS-1 / PGI-1},
ddc = {540},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
pnm = {422 - Spin-based and quantum information (POF2-422)},
pid = {G:(DE-HGF)POF2-422},
typ = {PUB:(DE-HGF)7},
UT = {WOS:000356811000008},
doi = {10.1007/128_2013_518},
url = {https://juser.fz-juelich.de/record/156208},
}