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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Roginskii E. M., Krylov A. S., Markov Y. F., Smirnov M. B.
Заглавие : Lattice dynamics and baric behavior of phonons in Hg2Cl2 crystals at high hydrostatic pressures
Место публикации : Bull. Russ. Acad. Sci. Phys.: Allerton Press, 2016. - Vol. 80, Is. 9. - P.1033-1037. - ISSN 10628738 (ISSN), DOI 10.3103/S1062873816090409
Примечания : Cited References: 12
Ключевые слова (''Своб.индексиров.''): chlorine compounds--crystal lattices--density functional theory--hydraulics--hydrostatic pressure--inorganic compounds--density functionals--high hydrostatic pressure--intermolecular interactions--orthorhombic phase--phonon spectrum--range dispersion--structural phase transition--theoretical modeling--phonons
Аннотация: 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. © 2016, Allerton Press, Inc.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhaleva E. A., Flerov I. N., Kartashev A. V., Gorev M. V., Molokeev M. S., Bogdanov E. V., Bondarev V. S., Korotkov L. N., Rysiakiewicz-Pasek E.
Заглавие : Effect of restricted geometry and external pressure on the phase transitions in ammonium hydrogen sulfate confined in a nanoporous glass matrix
Место публикации : J. Mater. Sci. - 2018. - Vol. 53, Is. 15. - P.12132–12144. - ISSN 00222461 (ISSN), DOI 10.1007/s10853-018-2467-1
Примечания : Cited References: 44. - The reported study was funded by Russian Foundation for Basic Research (RFBR) according to the Research Project No. 16-32-00092 mol_a.
Ключевые слова (''Своб.индексиров.''): hydraulics--hydrostatic pressure--permittivity--pore size--specific heat--sulfur compounds--thermal expansion
Аннотация: A study of heat capacity, thermal dilatation, susceptibility to hydrostatic pressure, permittivity and polarization loops was carried out on NH4HSO4–porous glass nanocomposites (AHS + PG) as well as empty glass matrices. The formation of dendrite clusters of AHS with a size, dcryst, exceeding the pore size was found. An insignificant anisotropy of thermal expansion of AHS + PG showing statistically uniform distribution of AHS with random orientations of nanocrystallites over the matrix was observed. The effect of internal and external pressures on thermal properties and permittivity was studied. At the phase transition P-1 ↔ Pc, a strongly nonlinear decrease in the entropy ΔS2 and volume strain (ΔV/V)T2 was observed with decreasing dcryst. The linear change in temperatures of both phase transitions P-1 ↔ Pc ↔ P21/c under hydrostatic pressure is accompanied by the expansion of the temperature range of existence of the ferroelectric phase Pc, while this interval narrows as dcryst decreases.
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