Lattice dynamics and baric behavior of phonons in Hg2Cl2 crystals at high hydrostatic pressures

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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.

In: Bulletin of the Russian Academy of Sciences: Physics, Vol. 80, No. 9, 01.09.2016, p. 1033-1037.

Research output: Contribution to journal › Article › peer-review

Author

Roginskii, E. M. ; Krylov, A. S. ; Markov, Yu F. ; Smirnov, M. B. / Lattice dynamics and baric behavior of phonons in Hg₂Cl₂ crystals at high hydrostatic pressures. In: Bulletin of the Russian Academy of Sciences: Physics. 2016 ; Vol. 80, No. 9. pp. 1033-1037.

BibTeX

@article{052c41c226294cfb8dc6be31bad1c07f,

title = "Lattice dynamics and baric behavior of phonons in Hg2Cl2 crystals at high hydrostatic pressures",

abstract = "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.",

author = "Roginskii, {E. M.} and Krylov, {A. S.} and Markov, {Yu F.} and Smirnov, {M. B.}",

note = "Publisher Copyright: {\textcopyright} 2016, Allerton Press, Inc.",

year = "2016",

month = sep,

day = "1",

doi = "10.3103/S1062873816090409",

language = "English",

volume = "80",

pages = "1033--1037",

journal = "Bulletin of the Russian Academy of Sciences: Physics",

issn = "1062-8738",

publisher = "Allerton Press, Inc.",

number = "9",

}

RIS

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.

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