Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Lattice dynamics and baric behavior of phonons in Hg2Cl2 crystals at high hydrostatic pressures. / Roginskii, E. M.; Krylov, A. S.; Markov, Yu F.; Smirnov, M. B.
в: Bulletin of the Russian Academy of Sciences: Physics, Том 80, № 9, 01.09.2016, стр. 1033-1037.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Lattice dynamics and baric behavior of phonons in Hg2Cl2 crystals at high hydrostatic pressures
AU - Roginskii, E. M.
AU - Krylov, A. S.
AU - Markov, Yu F.
AU - Smirnov, M. B.
N1 - Publisher Copyright: © 2016, Allerton Press, Inc.
PY - 2016/9/1
Y1 - 2016/9/1
N2 - A theoretical model based on long-range dispersion corrections of the charge density functional is proposed for model Hg2Cl2 calomel crystals, typical representatives of molecular inorganic compounds where the intermolecular interaction is found to play an important role. This model successfully describes the electronic state and the phonon spectrum of the above crystal, predicts the earlier unstudied phase transition at high hydrostatic pressure. Study of the baric behavior of the phonon spectrum with Raman spectroscopy observes the soft mode in the low-symmetry orthorhombic phase with the frequency softening as the pressure rises. Pressures above 9 GPa considerably transform the Raman spectra, indicating a structural phase transition.
AB - A theoretical model based on long-range dispersion corrections of the charge density functional is proposed for model Hg2Cl2 calomel crystals, typical representatives of molecular inorganic compounds where the intermolecular interaction is found to play an important role. This model successfully describes the electronic state and the phonon spectrum of the above crystal, predicts the earlier unstudied phase transition at high hydrostatic pressure. Study of the baric behavior of the phonon spectrum with Raman spectroscopy observes the soft mode in the low-symmetry orthorhombic phase with the frequency softening as the pressure rises. Pressures above 9 GPa considerably transform the Raman spectra, indicating a structural phase transition.
UR - http://www.scopus.com/inward/record.url?scp=84989957052&partnerID=8YFLogxK
U2 - 10.3103/S1062873816090409
DO - 10.3103/S1062873816090409
M3 - Article
AN - SCOPUS:84989957052
VL - 80
SP - 1033
EP - 1037
JO - Bulletin of the Russian Academy of Sciences: Physics
JF - Bulletin of the Russian Academy of Sciences: Physics
SN - 1062-8738
IS - 9
ER -
ID: 97784953