---
res:
  bibo_abstract:
  - We present a computational scheme to study spin excitations in magnetic materials
    from first principles. The central quantity is the transverse spin susceptibility,
    from which the complete excitation spectrum, including single-particle spin-flip
    Stoner excitations and collective spin-wave modes, can be obtained. The susceptibility
    is derived from many-body perturbation theory and includes dynamic correlation
    through a summation over ladder diagrams that describe the coupling of electrons
    and holes with opposite spins. In contrast to earlier studies, we do not use a
    model potential with adjustable parameters for the electron-hole interaction but
    employ the random-phase approximation. To reduce the numerical cost for the calculation
    of the four-point scattering matrix we perform a projection onto maximally localized
    Wannier functions, which allows us to truncate the matrix efficiently by exploiting
    the short spatial range of electronic correlation in the partially filled d or
    f orbitals. Our implementation is based on the full-potential linearized augmented-plane-wave
    method. Starting from a ground-state calculation within the local-spin-density
    approximation (LSDA), we first analyze the matrix elements of the screened Coulomb
    potential in the Wannier basis for the 3d transition-metal series. In particular,
    we discuss the differences between a constrained nonmagnetic and a proper spin-polarized
    treatment for the ferromagnets Fe, Co, and Ni. The spectrum of single-particle
    and collective spin excitations in fcc Ni is then studied in detail. The calculated
    spin-wave dispersion is in good overall agreement with experimental data and contains
    both an acoustic and an optical branch for intermediate wave vectors along the
    [100] direction. In addition, we find evidence for a similar double-peak structure
    in the spectral function along the [111] direction. To investigate the influence
    of static correlation we finally consider LSDA+U as an alternative starting point
    and show that, together with an improved description of the Fermi surface, it
    yields a more accurate quantitative value for the spin-wave stiffness constant,
    which is overestimated in the LSDA.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Ersoy
      foaf_name: Şaşıoğlu, Ersoy
      foaf_surname: Şaşıoğlu
  - foaf_Person:
      foaf_givenName: Arno
      foaf_name: Schindlmayr, Arno
      foaf_surname: Schindlmayr
      foaf_workInfoHomepage: http://www.librecat.org/personId=458
    orcid: 0000-0002-4855-071X
  - foaf_Person:
      foaf_givenName: Christoph
      foaf_name: Friedrich, Christoph
      foaf_surname: Friedrich
  - foaf_Person:
      foaf_givenName: Frank
      foaf_name: Freimuth, Frank
      foaf_surname: Freimuth
  - foaf_Person:
      foaf_givenName: Stefan
      foaf_name: Blügel, Stefan
      foaf_surname: Blügel
  bibo_doi: 10.1103/PhysRevB.81.054434
  bibo_issue: '5'
  bibo_volume: 81
  dct_date: 2010^xs_gYear
  dct_identifier:
  - UT:000274998000084
  dct_isPartOf:
  - http://id.crossref.org/issn/1098-0121
  - http://id.crossref.org/issn/1550-235X
  dct_language: eng
  dct_publisher: American Physical Society@
  dct_title: Wannier-function approach to spin excitations in solids@
...