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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},
}