---
res:
  bibo_abstract:
  - The phonon dispersions of the ferro‐ and paraelectric phase of LiTaO3 are calculated
    within density‐functional perturbation theory. The longitudinal optical phonon
    modes are theoretically derived and compared with available experimental data.
    Our results confirm the recent phonon assignment proposed by Margueron et al.
    [J. Appl. Phys. 111, 104105 (2012)] on the basis of spectroscopical studies. A
    comparison with the phonon band structure of the related material LiNbO3 shows
    minor differences that can be traced to the atomic‐mass difference between Ta
    and Nb. The presence of phonons with imaginary frequencies for the paraelectric
    phase suggests that it does not correspond to a minimum energy structure, and
    is compatible with an order‐disorder type phase transition.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Michael
      foaf_name: Friedrich, Michael
      foaf_surname: Friedrich
  - 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: Wolf Gero
      foaf_name: Schmidt, Wolf Gero
      foaf_surname: Schmidt
      foaf_workInfoHomepage: http://www.librecat.org/personId=468
    orcid: 0000-0002-2717-5076
  - foaf_Person:
      foaf_givenName: Simone
      foaf_name: Sanna, Simone
      foaf_surname: Sanna
  bibo_doi: 10.1002/pssb.201552576
  bibo_issue: '4'
  bibo_volume: 253
  dct_date: 2016^xs_gYear
  dct_identifier:
  - UT:000374142500015
  dct_isPartOf:
  - http://id.crossref.org/issn/0370-1972
  - http://id.crossref.org/issn/1521-3951
  dct_language: eng
  dct_publisher: Wiley-VCH@
  dct_title: LiTaO3 phonon dispersion and ferroelectric transition calculated from
    first principles@
...