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    Рогинский, Е. М.
    Неэмпирические подходы при изучении фазовых переходов и барическое поведение фононов в молекулярных кристаллах / Е. М. Рогинский, А. С. Крылов, Ю. Ф. Марков // Наноматер. и нанострукт. - XXI век. - 2015. - Т. 6, № 2. - С. 21-27. - Библиогр.: 12 . - ISSN 2225-0999
   Перевод заглавия: Ab initio approaches used by phase transition study and phonons pressure behaviour in molecular crystals
Кл.слова (ненормированные):
ab initio -- фононы -- сегнетоэластики -- фазовые переходы -- раман-спектроскопия -- динамика решетки -- phonon -- ferroelastics -- phase transition -- Raman spectra -- lattice dynamics
Аннотация: При изучении барического поведения фононного спектра кристаллов Hg2Cl2 были предсказаны теоретически и обнаружены экспериментально в низкосимметричной, ромбической фазе мягкие моды из различных высокосимметричных точек зоны Бриллюэна (ЗБ), частоты которых уменьшается при повышении давления. В раман спектрах наблюдается мягкий фонон, который смягчается вплоть до критического давления c = 9,2 ГПа, выше которого полностью исчезает, что свидетельствует в пользу второго структурного фазового перехода, обнаруженного в настоящей работе, в кристаллах Hg2Cl2. Показано, что в случае молекулярных или квазимолекулярных кристаллов для корректного описания электронной структуры важно учитывать дисперсионные дальнодействующие поправки функционала зарядовой плотности.
Under the study of phonon spectra pressure behaviour of Hg2Cl2 crystals the soft modes at the set of high-symmetry Brillouin zone(BZ) points was predicted theoretically and observed experimentally. The frequency of soft modes reduces under pressure. In the raman spectra soft mode at the center of BZ was observed and studied. The frequency of soft mode decrease at the hydrostatic pressure up to P c = 9.2 GPa and disappears at higher pressure in spectra. Such changes in spectra points to the existence of the second phase transition observed in the present work. It was shown that in the case of molecular crystals the long-range dispersion corrections of the electron density functional is required for a proper electronic structure description.

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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Крылов, Александр Сергеевич; Krylov, A. S.; Марков, Ю. Ф.; Markov Yu. F; Roginskii E. M.
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Unidirectional Amplification and Shaping of Optical Pulses by Three-Wave Mixing with Negative Phonons / A. K. Popov [и др.] // The 4th International Conference on Metamaterials, Photonic Crystals and Plasmonics (META’13) : Proceedings. - 2013. - P. 35-40. - Библиогр.: 30 назв.
Аннотация: A possibility to greatly enhance frequency-conversion efficiency of stimulated Raman scattering is shown by making use of extraordinary properties of three-wave mixing of ordinary and backward waves. Such processes are commonly attributed to negative-index plasmonic metamaterials. This work demonstrates the possibility to replace such metamaterials that are very challenging to engineer by readily available crystals which support elastic waves with contradirected phase and group velocities. The main goal of this work is to investigate specific properties of indicated nonlinear optical process in short pulse regime and to show that it enables elimination of fundamental detrimental effect of fast damping of optical phonons on the process concerned. Among the applications is the possibility of creation of a family of unique photonic devices such as unidirectional Raman amplifiers and femtosecond pulse shapers with greatly improved operational properties.

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Доп.точки доступа:
Popov, A. K.; Shalaev, M. I.; Шалаев, Михаил Игоревич; Myslivets, S. A.; Мысливец, Сергей Александрович; Slabko, V. V.; Слабко, Виталий Васильевич; International Conference on Metamaterials, Photonic Crystals and Plasmonics(4 ; 2013 ; March ; 18-22 ; Sharjah, United Arab Emirates)
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Unidirectional amplification and shaping of optical pulses by three-wave mixing with negative phonons / A. K. Popov [et al.] // Appl. Phys. A. - 2013. - Vol. 115, Is. 2. - P. 523-529, DOI 10.1007/s00339-013-8078-4. - Cited References: 32. - This work was supported in parts by the US Air Force Office of Scientific Research under Grant No. FA950-12-1-298, by the US National Science Foundation under Grant No. ECCS-1028353, by the Presidium of the Russian Academy of Sciences under Grant No. 24-31 and by the Russian Federal Program on Science, Education and Innovation under Grant No. 14.A18.21.1942. . - ISSN 0947-8396. - ISSN 1432-0630

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
LEFT-HANDED METAMATERIALS
   2ND-HARMONIC GENERATION
   INDEX METAMATERIALS
   NONLINEAR OPTICS
   PARAMETRIC AMPLIFICATION
   COMPENSATING LOSSES
   BACKWARD WAVES
   OSCILLATOR
   CRYSTALS
Аннотация: A possibility to greatly enhance frequency-conversion efficiency of stimulated Raman scattering is shown by making use of extraordinary properties of three-wave mixing of ordinary and backward waves. Such processes are commonly attributed to negative-index plasmonic metamaterials. This work demonstrates the possibility to replace such metamaterials that are very challenging to engineer by readily available crystals which support elastic waves with contra-directed phase and group velocities. The main goal of this work was to investigate specific properties of indicated nonlinear optical process in short-pulse regime and to show that it enables elimination of fundamental detrimental effect of fast damping of optical phonons on the process concerned. Among the applications is the possibility of creation of a family of unique photonic devices such as unidirectional Raman amplifiers and femtosecond pulse shapers with greatly improved operational properties.

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Держатели документа:
Univ Wisconsin, Stevens Point, WI 54481 USA
Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Popov, A. K.; Попов, Александр Кузьмич; Shalaev, M. I.; Шалаев, Михаил Игоревич; Myslivets, S. A.; Мысливец, Сергей Александрович; Slabko, V. V.; Слабко, Виталий Васильевич; US Air Force Office of Scientific Research [FA950-12-1-298]; US National Science Foundation [ECCS-1028353]; Presidium of the Russian Academy of Sciences [24-31]; Russian Federal Program on Science, Education and Innovation [14.A18.21.1942]
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Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phase transitions / A. E.J. Hoffman, I. Senkovska, J. Wieme [et al.] // J. Mater. Chem. A. - 2022. - Vol. 10, Is. 33. - P. 17254-17266, DOI 10.1039/d2ta01678h. - Cited References: 80. - This work was financially supported by the Fund for Scientific Research Flanders (FWO), the Research Board of the Ghent University (BOF), the Deutsche Forschungsgemeinschaft (DFG, project number 448809307), and the Russian Foundation for Basic Research (RFBR, project number 21-52-12018). The authors thank Kerstin Zechel for sample synthesis. The computational resources and services used in this work were provided by the Flemish Supercomputer Center (VSC), funded by FWO and the Flemish Government . - ISSN 2050-7488
Кл.слова (ненормированные):
Calculations -- Crystalline materials -- Lattice vibrations -- Phonons -- Vibration analysis -- Ab initio -- Building blockes -- Dynamics calculations -- Low-frequency phonon -- Metalorganic frameworks (MOFs) -- Phase transition mechanisms -- Porous crystals -- Rigid unit modes -- Terahertz spectrum -- Unfoldings -- Organometallics
Аннотация: Phase transitions in flexible metal-organic frameworks or soft porous crystals are mediated by low-frequency phonons or rigid-unit modes. The alteration of specific building blocks may change the lattice dynamics of these frameworks, which can influence the phase transition mechanism. In this work, the impact of building block substitution on the rigid-unit modes in flexible MIL-53 analogs with a winerack topology will be investigated via ab initio lattice dynamics calculations. First, the accuracy of the theoretical simulations is verified via experimental Raman measurements, which provide unique fingerprint vibrations in the terahertz range to characterize the phase transition. Following analysis of the low-frequency vibrations shows that there exists a set of universal rigid-unit modes inducing translations and/or rotations of the building blocks. The theoretical results demonstrate that linker substitutions have a large effect on the rigid-unit mode frequencies, whereas this is less so for inorganic chain substitutions. These findings may help to rationally tune the phonon frequencies in soft porous crystals.

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Держатели документа:
Center for Molecular Modeling, Ghent University, Technologiepark 46, Zwijnaarde, 9052, Belgium
Inorganic Chemistry I, Technische Universitat Dresden, Bergstra?e 66, Dresden, 01187, Germany
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Hoffman, A. E.J.; Senkovska, I.; Wieme, J.; Krylov, A. S.; Крылов, Александр Сергеевич; Kaskel, S.; Van Speybroeck, V.
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Aplesnin, S. S.
Two-dimensional quantum spin liquid with S=1/2 spins interacting with acoustic phonons / S. S. Aplesnin // Phys. Lett. A. - 2004. - Vol. 333, Is. 5-6. - P. 446-449, DOI 10.1016/j.physleta.2004.10.064. - Cited References: 11 . - ISSN 0375-9601

РУБ Physics, Multidisciplinary
Рубрики:
ANTIFERROMAGNET
Кл.слова (ненормированные):
spin-phonon interactions -- spin-liquid -- spinon excitations -- Spin-liquid -- Spin-phonon interactions -- Spinon excitations -- ferromagnetic material -- acceleration -- acoustics -- article -- density -- energy -- liquid -- magnetic field -- mathematical analysis -- Monte Carlo method -- phonon -- quantum mechanics
Аннотация: The spin density of states of a two-dimensional antiferromagnet in magnetic field having spins-1/2 and interacting with acoustic phonons is investigated in the nonadiabatic approximation using the quantum Monte Carlo method. It is found the gap energy A in the single particle spin excitations spectrum closes at magnetic field Delta similar or equal to H-c, W-ph W-s, where W-ph and W-s are the bandwidths of phonon and spin excitations in antiferromagnet. (C) 2004 Elsevier B.V All rights reserved.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
L.V. Kirenskii Institute of Physics, Siberian Br. Russ. Acad. of Sci., Krasnoyarsk 660036, Russia, Russian Federation

Доп.точки доступа:
Аплеснин, Сергей Степанович
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Bikbaev, R. G.
Transparent conductive oxides for the epsilon-near-zero Tamm plasmon polaritons / R. G. Bikbaev, S. Ya Vetrov, I. V. Timofeev // J. Opt. Soc. Am. B. - 2019. - Vol. 36, Is. 10. - P. 2817-2823, DOI 10.1364/JOSAB.36.002817. - Cited References: 44. - The reported study was funded by RFBR according to the research project No 18-32-00053 and financial support RFBR and MOST according to the research project No 19-52-52006. . - ISSN 0740-3224
Кл.слова (ненормированные):
Aluminum oxide -- II-VI semiconductors -- Indium compounds -- Infrared devices -- Optical films -- Phonons -- Photons -- Plasmons -- Q factor measurement -- Tin oxides -- Transfer matrix method -- Transparent conducting oxides -- Zinc oxide
Аннотация: We demonstrate the possibility of using transparent conducting oxides [aluminum-doped zinc oxide (AZO), gallium-doped zinc oxide (GZO), indium tin oxide (ITO)] to form Tamm plasmon polaritons in the near-infrared spectral range where the permittivity of oxides is near zero. The spectral properties of the structures are investigated in the framework of the temporal coupled-mode theory and confirmed by the transfer matrix method. It is found that in the critical coupling conditions, the maximal Q-factor of a Tamm plasmon polariton is achieved when a photonic crystal is conjugated with the AZO film, while at the conjugation with the ITO films, the broadest spectral line is obtained. The sensitivity of the wavelength and spectral width of the Tamm plasmon polariton to changes in the oxide film thickness, bulk concentration of a dopant, and angle of incidence is demonstrated.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Vetrov, S. Ya.; Ветров, Степан Яковлевич; Timofeev, I. V.; Тимофеев, Иван Владимирович; Бикбаев, Рашид Гельмединович
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Zinenko, V. I.
The nonempirical calculation of the cation ordering and lattice dynamics in the solid solutions of PbSc1/2Nb1/2O3 and PbSc1/2Ta1/2O3 / V. I. Zinenko, S. N. Sofronova ; ed.: A Kaplyanskii, A Akimov, Akimov, // 11th International Conference on Phonon Scattering in Condensed Matter (PHONONS 2004) (JUL 25-30, 2004, St Petersburg, RUSSIA) : WILEY-V C H VERLAG GMBH, 2004. - P. 3047-3051, DOI 10.1002/pssc.200405286. - Cited References: 10 . - ISBN 3-527-40588-7

РУБ Physics, Condensed Matter

Аннотация: An effective Hamiltonian for the study of Sc-Nb(Ta) cation ordering in PbSc1/2Nb(Ta)(1/2)O-3 solid solutions is written out. To determine the parameters of the effective Hamiltonian, a nonempirical calculation is performed within an ionic-crystal model taking into account the deformation, dipole and quadrupole polarizabilities of ions. The phase transition temperatures are calculated by mean field, cluster approximations and Monte-Carlo method. Within the same ionic-crystal model, we calculated the high-frequency permittivity, Born dynamic charges, and the phonon spectrum for a completely disordered and ordered phases. (C) 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Akademgorokok, Russia
ИФ СО РАН

Доп.точки доступа:
Sofronova, S. N.; Софронова, Светлана Николаевна; Зиненко, Виктор Иванович
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Ovchinnikov, S. G.
The Interplay of Phonon and Magnetic Mechanism of Pairing in Strongly Correlated Electron System of High-T-c Cuprates / S. G. Ovchinnikov, E. I. Shneyder // J. Supercond. Nov. Magn. - 2010. - Vol. 23, Is. 5. - P. 733-736, DOI 10.1007/s10948-009-0633-z. - Cited References: 26. - This work is supported by the Presidium RAS program N 7 "Quantum physics of condensed matter," the integration project SORAN-UrORAN N 40, and the RFFI Grant 09-02-00127. . - ISSN 1557-1939

РУБ Physics, Applied + Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   OXIDE SUPERCONDUCTORS
   SYMMETRY
   COPPER
   MODEL
   BAND
   BI2SR2CACU2O8+DELTA
   LA2-XSRXCUO4
   PB
Кл.слова (ненормированные):
High-T-c superconductivity -- Strong correlated electron systems -- Mechanisms of superconducting pairing -- High-T c superconductivity -- Mechanisms of superconducting pairing -- Strong correlated electron systems -- Ab initio -- Buckling mode -- Correlated electron systems -- Critical temperatures -- Cuprates -- Fitting parameters -- High-T -- Isotope effect -- Low energies -- Magnetic mechanisms -- Order of magnitude -- Phonon mode -- Strongly correlated electron system -- Strongly correlated electrons -- Superconducting pairing -- Superconductivity mechanism -- Type theory -- Buckling -- Copper compounds -- Electrons -- Isotopes -- Magnetic materials -- Phonons -- Superconductivity -- Superconducting magnets
Аннотация: We consider magnetic mechanism of superconducting pairing in the effective low energy t - t' - t '' - J* model with all parameters calculated ab initio. Interaction of strongly correlated electrons with different phonon modes is also incorporated. In a BCS type theory, the d(x2-y2) gap is given by a sum of magnetic and phonon contributions. The main contribution to the only fitting parameter G is determined by a competition of the breathing and buckling modes. Fitting the parameter G from the isotope effect, we obtain that magnetic and phonon contributions to the critical temperature T-c work together and are of the same order of magnitude.

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Держатели документа:
[Ovchinnikov, S. G.
Shneyder, E. I.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Shneyder, E. I.] Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Siberian Federal University, 660041 Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aerospace University, 660014 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shneyder, E. I.; Шнейдер, Елена Игоревна; Овчинников, Сергей Геннадьевич
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Kolbysheva, O. P.
The coupling of solitons via phonons in the phi-4-phi-2-model / O. P. Kolbysheva, A. F. Sadreev // Zhurnal Eksperimentalnoi Teor. Fiz. - 1991. - Vol. 100, Is. 4. - P. 1262-1271. - Cited References: 9 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary

Аннотация: The indirect coupling of solitons via phonons in the one-dimensional model phi-4-phi-2, as well as the coupling of plane domain walls in the d-dimensional model are analyzed. Both analytically and numerically, the indirect coupling is shown to be repulsive and significantly more long-range than the static coupling of solitons. The soliton coupling involving the soliton pinning is considered as well.

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Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович
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10.

Surface phonons in molecular-crystals / V. G. Podoprigora [et al.] // Phys. Status Solidi B. - 1987. - Vol. 139, Is. 1. - P. 109-115, DOI 10.1002/pssb.2221390108. - Cited References: 9 . - ISSN 0370-1972

РУБ Physics, Condensed Matter

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Держатели документа:
Acad of Sciences of the USSR, Krasnoyarsk, USSR, Acad of Sciences of the USSR, Krasnoyarsk, USSR
КНЦ СО РАН
Доп.точки доступа:
Podoprigora, V. G.; Подопригора, Владимир Георгиевич; Remizov, I. A.; Shabanov, V. F.; Шабанов, Василий Филиппович; Botvich, A. N.
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