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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},
}