TY  - JOUR
AU  - Stavrou, Elissaios
AU  - Yao, Yansun
AU  - Goncharov, Alexander F.
AU  - Konôpková, Zuzana
AU  - Raptis, Constantine
TI  - High-pressure structural study of MnF<sub>2</sub>
JO  - Physical review / B
VL  - 93
IS  - 5
SN  - 2469-9950
CY  - College Park, Md.
PB  - APS
M1  - PUBDB-2016-00896
SP  - 054101
PY  - 2016
AB  - Manganese fluoride (MnF<sub>2</sub>) 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<sub>2</sub> type (3 GPa)→ α−PbCl<sub>2</sub> type (13 GPa). Complete structural information, including interatomic distances, has been determined in the case of MnF<sub>2</sub> 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<sub>2</sub> as a model compound to reveal the HP structural behavior of rutile-type SiO<sub>2</sub> (Stishovite).
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000369390100001
DO  - DOI:10.1103/PhysRevB.93.054101
UR  - https://bib-pubdb1.desy.de/record/293936
ER  -