---
_id: '18471'
abstract:
- lang: eng
  text: 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.
author:
- first_name: Christoph
  full_name: Friedrich, Christoph
  last_name: Friedrich
- first_name: Ersoy
  full_name: Şaşıoğlu, Ersoy
  last_name: Şaşıoğlu
- first_name: Mathias
  full_name: Müller, Mathias
  last_name: Müller
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
- first_name: Stefan
  full_name: Blügel, Stefan
  last_name: Blügel
citation:
  ama: 'Friedrich C, Şaşıoğlu E, Müller M, Schindlmayr A, Blügel S. Spin excitations
    in solids from many-body perturbation theory. In: Di Valentin C, Botti S, Cococcioni
    M, eds. <i>First Principles Approaches to Spectroscopic Properties of Complex
    Materials</i>. Vol 347.  Topics in Current Chemistry. Springer; 2014:259-301.
    doi:<a href="https://doi.org/10.1007/128_2013_518">10.1007/128_2013_518</a>'
  apa: Friedrich, C., Şaşıoğlu, E., Müller, M., Schindlmayr, A., &#38; Blügel, S.
    (2014). Spin excitations in solids from many-body perturbation theory. In C. Di
    Valentin, S. Botti, &#38; M. Cococcioni (Eds.), <i>First Principles Approaches
    to Spectroscopic Properties of Complex Materials</i> (Vol. 347, pp. 259–301).
    Springer. <a href="https://doi.org/10.1007/128_2013_518">https://doi.org/10.1007/128_2013_518</a>
  bibtex: '@inbook{Friedrich_Şaşıoğlu_Müller_Schindlmayr_Blügel_2014, place={Berlin,
    Heidelberg}, series={ Topics in Current Chemistry}, title={Spin excitations in
    solids from many-body perturbation theory}, volume={347}, DOI={<a href="https://doi.org/10.1007/128_2013_518">10.1007/128_2013_518</a>},
    booktitle={First Principles Approaches to Spectroscopic Properties of Complex
    Materials}, publisher={Springer}, author={Friedrich, Christoph and Şaşıoğlu, Ersoy
    and Müller, Mathias and Schindlmayr, Arno and Blügel, Stefan}, editor={Di Valentin,
    Cristiana and Botti, Silvana and Cococcioni, Matteo}, year={2014}, pages={259–301},
    collection={ Topics in Current Chemistry} }'
  chicago: 'Friedrich, Christoph, Ersoy Şaşıoğlu, Mathias Müller, Arno Schindlmayr,
    and Stefan Blügel. “Spin Excitations in Solids from Many-Body Perturbation Theory.”
    In <i>First Principles Approaches to Spectroscopic Properties of Complex Materials</i>,
    edited by Cristiana Di Valentin, Silvana Botti, and Matteo Cococcioni, 347:259–301.  Topics
    in Current Chemistry. Berlin, Heidelberg: Springer, 2014. <a href="https://doi.org/10.1007/128_2013_518">https://doi.org/10.1007/128_2013_518</a>.'
  ieee: 'C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, and S. Blügel, “Spin
    excitations in solids from many-body perturbation theory,” in <i>First Principles
    Approaches to Spectroscopic Properties of Complex Materials</i>, vol. 347, C.
    Di Valentin, S. Botti, and M. Cococcioni, Eds. Berlin, Heidelberg: Springer, 2014,
    pp. 259–301.'
  mla: Friedrich, Christoph, et al. “Spin Excitations in Solids from Many-Body Perturbation
    Theory.” <i>First Principles Approaches to Spectroscopic Properties of Complex
    Materials</i>, edited by Cristiana Di Valentin et al., vol. 347, Springer, 2014,
    pp. 259–301, doi:<a href="https://doi.org/10.1007/128_2013_518">10.1007/128_2013_518</a>.
  short: 'C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, S. Blügel, in: C.
    Di Valentin, S. Botti, M. Cococcioni (Eds.), First Principles Approaches to Spectroscopic
    Properties of Complex Materials, Springer, Berlin, Heidelberg, 2014, pp. 259–301.'
date_created: 2020-08-27T21:00:45Z
date_updated: 2025-12-16T08:06:12Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '230'
doi: 10.1007/128_2013_518
editor:
- first_name: Cristiana
  full_name: Di Valentin, Cristiana
  last_name: Di Valentin
- first_name: Silvana
  full_name: Botti, Silvana
  last_name: Botti
- first_name: Matteo
  full_name: Cococcioni, Matteo
  last_name: Cococcioni
external_id:
  isi:
  - '000356811000008'
  pmid:
  - '24577607'
file:
- access_level: closed
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-28T15:19:57Z
  date_updated: 2020-08-30T14:48:45Z
  description: © 2014 Springer-Verlag, Berlin, Heidelberg
  file_id: '18584'
  file_name: Friedrich2014_Chapter_SpinExcitationsInSolidsFromMan.pdf
  file_size: 1061365
  relation: main_file
  title: Spin excitations in solids from many-body perturbation theory
file_date_updated: 2020-08-30T14:48:45Z
has_accepted_license: '1'
intvolume: '       347'
isi: '1'
language:
- iso: eng
page: 259-301
place: Berlin, Heidelberg
pmid: '1'
publication: First Principles Approaches to Spectroscopic Properties of Complex Materials
publication_identifier:
  eisbn:
  - 978-3-642-55068-3
  eissn:
  - 1436-5049
  isbn:
  - 978-3-642-55067-6
  issn:
  - 0340-1022
publication_status: published
publisher: Springer
quality_controlled: '1'
series_title: ' Topics in Current Chemistry'
status: public
title: Spin excitations in solids from many-body perturbation theory
type: book_chapter
user_id: '16199'
volume: 347
year: '2014'
...
---
_id: '64901'
author:
- first_name: Lutz
  full_name: Greb, Lutz
  last_name: Greb
- first_name: Jan
  full_name: Paradies, Jan
  id: '53339'
  last_name: Paradies
  orcid: 0000-0002-3698-668X
citation:
  ama: 'Greb L, Paradies J. Paracyclophane Derivatives in Frustrated Lewis Pair Chemistry.
    In: <i>Topics in Current Chemistry</i>. Springer Berlin Heidelberg; 2012. doi:<a
    href="https://doi.org/10.1007/128_2012_375">10.1007/128_2012_375</a>'
  apa: Greb, L., &#38; Paradies, J. (2012). Paracyclophane Derivatives in Frustrated
    Lewis Pair Chemistry. In <i>Topics in Current Chemistry</i>. Springer Berlin Heidelberg.
    <a href="https://doi.org/10.1007/128_2012_375">https://doi.org/10.1007/128_2012_375</a>
  bibtex: '@inbook{Greb_Paradies_2012, place={Berlin, Heidelberg}, title={Paracyclophane
    Derivatives in Frustrated Lewis Pair Chemistry}, DOI={<a href="https://doi.org/10.1007/128_2012_375">10.1007/128_2012_375</a>},
    booktitle={Topics in Current Chemistry}, publisher={Springer Berlin Heidelberg},
    author={Greb, Lutz and Paradies, Jan}, year={2012} }'
  chicago: 'Greb, Lutz, and Jan Paradies. “Paracyclophane Derivatives in Frustrated
    Lewis Pair Chemistry.” In <i>Topics in Current Chemistry</i>. Berlin, Heidelberg:
    Springer Berlin Heidelberg, 2012. <a href="https://doi.org/10.1007/128_2012_375">https://doi.org/10.1007/128_2012_375</a>.'
  ieee: 'L. Greb and J. Paradies, “Paracyclophane Derivatives in Frustrated Lewis
    Pair Chemistry,” in <i>Topics in Current Chemistry</i>, Berlin, Heidelberg: Springer
    Berlin Heidelberg, 2012.'
  mla: Greb, Lutz, and Jan Paradies. “Paracyclophane Derivatives in Frustrated Lewis
    Pair Chemistry.” <i>Topics in Current Chemistry</i>, Springer Berlin Heidelberg,
    2012, doi:<a href="https://doi.org/10.1007/128_2012_375">10.1007/128_2012_375</a>.
  short: 'L. Greb, J. Paradies, in: Topics in Current Chemistry, Springer Berlin Heidelberg,
    Berlin, Heidelberg, 2012.'
date_created: 2026-03-11T10:32:32Z
date_updated: 2026-03-11T10:32:41Z
department:
- _id: '2'
- _id: '389'
doi: 10.1007/128_2012_375
language:
- iso: eng
place: Berlin, Heidelberg
publication: Topics in Current Chemistry
publication_identifier:
  isbn:
  - '9783642377587'
  - '9783642377594'
  issn:
  - 0340-1022
  - 1436-5049
publication_status: published
publisher: Springer Berlin Heidelberg
status: public
title: Paracyclophane Derivatives in Frustrated Lewis Pair Chemistry
type: book_chapter
user_id: '53339'
year: '2012'
...