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@ARTICLE{Stavrou:293936,
      author       = {Stavrou, Elissaios and Yao, Yansun and Goncharov, Alexander
                      F. and Konôpková, Zuzana and Raptis, Constantine},
      title        = {{H}igh-pressure structural study of $\mathrm{{M}n{F}_{2}}$},
      journal      = {Physical review / B},
      volume       = {93},
      number       = {5},
      issn         = {2469-9950},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PUBDB-2016-00896},
      pages        = {054101},
      year         = {2016},
      abstract     = {Manganese fluoride (MnF$_{2}$) with the tetragonal
                      rutile-type structure has been studied using a synchrotron
                      angle-dispersive powder x-ray diffraction and Raman
                      spectroscopy in a diamond anvil cell up to 60 GPa at room
                      temperature combined with first-principles density
                      functional calculations. The experimental data reveal two
                      pressure-induced structural phase transitions with the
                      following sequence: rutile → SrI$_{2}$ type (3 GPa)→
                      α−PbCl$_{2}$ type (13 GPa). Complete structural
                      information, including interatomic distances, has been
                      determined in the case of MnF$_{2}$ including the exact
                      structure of the debated first high-pressure phase.
                      First-principles density functional calculations confirm
                      this phase transition sequence, and the two calculated
                      transition pressures are in excellent agreement with the
                      experiment. Lattice dynamics calculations also reproduce the
                      experimental Raman spectra measured for the ambient and
                      high-pressure phases. The results are discussed in line with
                      the possible practical use of rutile-type fluorides in
                      general and specifically MnF$_{2}$ as a model compound to
                      reveal the HP structural behavior of rutile-type SiO$_{2}$
                      (Stishovite).},
      cin          = {DOOR},
      ddc          = {530},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (POF3-622) / CALIPSO - Coordinated Access
                      to Lightsources to Promote Standards and Optimization
                      (312284)},
      pid          = {G:(DE-HGF)POF3-6G3 / G:(EU-Grant)312284},
      experiment   = {EXP:(DE-H253)P-P02.2-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000369390100001},
      doi          = {10.1103/PhysRevB.93.054101},
      url          = {https://bib-pubdb1.desy.de/record/293936},
}