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Flerov, I. N.
Entropy and the mechanism of phase transitions in elpasolites / I. N. Flerov, M. V. Gorev // Phys. Solid State. - 2001. - Vol. 43, Is. 1. - P. 127-136, DOI 10.1134/1.1340198. - Cited References: 33 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
ORDERED PEROVSKITE PB2MGTEO6
   ELASTIC NEUTRON-DIFFRACTION
   THERMODYNAMIC PROPERTIES
   CUBIC PEROVSKITES
   CRYSTAL-STRUCTURE
   HIGH-RESOLUTION
   PB2MGWO6
   CSPBCL3
Аннотация: The phase transitions in series of crystals with the general formulas A(2)BB'X-6 (X = F, Cl, Br, or CN) and Pb2BB'O-6 that belong to the elpasolite family (space group Fm(3) over bar m) are analyzed. The influence of the size and the shape of cations and anions on the entropy and the mechanism of structural distortions is discussed. (C) 2001 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, Siberian Div, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirenskii Inst. of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Флёров, Игорь Николаевич
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Gorev, M. V.
Heat capacity and the p-T phase diagram of Pb2MgTeO6 elpasolite / M. V. Gorev, I. N. Flerov, P. . Sciau // Phys. Solid State. - 2001. - Vol. 43, Is. 2. - P. 345-349, DOI 10.1134/1.1349486. - Cited References: 17 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
ORDERED PEROVSKITE PB2MGTEO6
   CRYSTAL-STRUCTURE
   PB2COWO6
   PB2MGWO6
Аннотация: The heat capacity of Pb2MgTeO6 is measured in the temperature range 80-300 K. It is found that the heat capacity exhibits an anomaly associated with the phase transition at T-0 = 186.9 K. The thermodynamic parameters of the structural transformation are determined. The effect of hydrostatic pressure up to 0.5 GPa on the phase transition temperature is examined. (C) 2001 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
CNRS, Ctr Mat Improvement & Struct Invest, F-31055 Toulouse, France
ИФ СО РАН
Kirenskii Inst. of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
CNRS Ctr. for Mat. I., Tuluza, 31055, France

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Sciau, P.; Горев, Михаил Васильевич
}
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Magnetic and electrical properties of Fe1.91V0.09BO4 warwickite / A. D. Balaev [et al.] // J. Exp. Theor. Phys. - 2003. - Vol. 97, Is. 5. - P. 989-995, DOI 10.1134/1.1633954. - Cited References: 22. - This study was supported in part by the Russian Foundation for Basic Research (project no. 03-02-16286) and by the Federal Program “Integration” (project no. B0017) . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
ELECTRONIC-STRUCTURE
   CRYSTAL-STRUCTURE
   FE2OBO3
   CHAINS
   FE2BO4
   FEBO3
Кл.слова (ненормированные):
Electric conductivity -- Magnetic variables measurement -- Magnetization -- Single crystals -- Hopping conductivity -- Warwickite -- Iron compounds
Аннотация: We have performed a complex investigation of the structure and the magnetic and electrical properties of a warwickite single crystal with the composition Fe1.91V0.09BO4 . The results of Mossbauer measurements at T = 300 K indicate that there exist "localized" (Fe2+, Fe3+) and "delocalized" (Fe2.5+) states distributed over two crystallographically nonequivalent positions. The results of magnetic measurements show that warwickite is a P-type ferrimagnet below T = 130 K. The material exhibits hopping conductivity involving strongly interacting electrons. The experimental data are analyzed in comparison to the properties of the initial (unsubstituted) Fe2BO4 warwickite. The entire body of data on the electric conductivity and magnetization are interpreted on a qualitative basis. (C) 2003 MAIK "Nauka / Interperiodica".

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Публикация на русском языке Магнитные и электрические свойства варвикита Fe[1.91]V[0.09]BO[4] [Текст] / А. Д. Балаев [и др.] // Журн. эксперим. и теор. физ. - 2003. - Т. 124 Вып. 5. - С. 1103-1111

Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Krasnoyarsk State Tech Univ, Krasnoyarsk 660074, Russia
Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Krasnoyarsk State Technical University, Krasnoyarsk, 660074, Russian Federation
Physikalisches Institut II, Universitat zu Koln, 50937 Koln, Germany

Доп.точки доступа:
Balaev, A. D.; Балаев, Александр Дмитриевич; Bayukov, O. A.; Баюков, Олег Артемьевич; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Ivanova, N. B.; Иванова, Наталья Борисовна; Kazak, N. V.; Казак, Наталья Валерьевна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Abd-Elmeguid, M. M.; Rudenko, V. V.; Руденко, Валерий Васильевич
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Studies of the thermodynamic properties of the ordered perovskites Pb2CdWO6 and Pb2YbTaO6 within a broad temperature range / M. V. Gorev [et al.] // Phys. Solid State. - 2002. - Vol. 44, Is. 2. - P. 353-357, DOI 10.1134/1.1451027. - Cited References: 18 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
CRYSTAL-STRUCTURE
   PB2COWO6
   PB2MGWO6
   PHASE
   HEAT
Аннотация: This paper reports on measurements of the specific heat of Pb2CdWO6 made at temperatures ranging from 80 to 750 K and of Pb2YbTaO6 within the 350- to 700-K temperature range. First-order phase transitions from the cubic phase at 677.3 and 581 K, respectively, were observed, and their thermodynamic characteristics were determined. The entropy change on the phase transitions is close to Rln4 for both compounds. The results obtained are discussed in terms of the model of position disordering of the lead ions. It was established that below 350 K, Pb2CdWO6 can exist in two states, stable and metastable, depending on the sample thermal prehistory. (C) 2002 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
CNRS, CEMEC, F-31055 Toulouse, France
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Sciau, P.
}
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ZEIN, N. E.
ABINITIO CALCULATIONS OF PHONON FREQUENCIES AND DIELECTRIC-CONSTANTS IN A(4)B(6) COMPOUNDS / N. E. ZEIN, V. I. ZINENKO, A. S. FEDOROV // Phys. Lett. A. - 1992. - Vol. 164, Is. 1. - P. 115-119, DOI 10.1016/0375-9601(92)90916-A. - Cited References: 20 . - ISSN 0375-9601

РУБ Physics, Multidisciplinary
Рубрики:
IV-VI COMPOUNDS
CRYSTAL-STRUCTURE
Аннотация: The transverse and longitudinal optical frequencies at q = 0, the dielectric constant and the effective charges are calculated for the A4B6 type family of the semiconducting compounds GeTe, SnTe and PdTe. The calculations are performed in the framework of the density functional method with the use of the norm-conserving "first-principles" pseudopotentials. The estimated ferroelectric phase transition temperatures and a number of other calculated quantities turned out to be in good agreement with the experimental data. The variations of the electronic structure in the row PbTe-GeTe, which promote the ferroelectric phase transition for GeTe, are discussed.

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Держатели документа:
LV KIRENSKY PHYS INST,KRASNOYARSK 660036,USSR
ИФ СО РАН

Доп.точки доступа:
ZINENKO, V. I.; Зиненко, Виктор Иванович; FEDOROV, A. S.; Федоров, Александр Семенович
}
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Specific features of spin, charge, and orbital ordering in cobaltites / N. B. Ivanova [et al.] // Phys. Usp. - 2009. - Vol. 52, Is. 8. - P. 789-810, DOI 10.3367/UFNe.0179.200908b.0837. - Cited References: 278. - This work was financially supported by the RFBR (projects 09-02-00171-a, 07-02-00226, and 09-02-00127), the Federal Agency of Science and Innovation (grant MK-4278.2008.2), and the Presidium of the Russian Academy of Sciences Program No. 5, Quantum Physics of Condensed Media (project No. 7). I.M.E.'s work was supported by the program for Leading Science Schools of the Ministry of Education and Science of the Russian Federation (grant 2.1.1/3199). . - ISSN 1063-7869

РУБ Physics, Multidisciplinary
Рубрики:
PEROVSKITE-TYPE OXIDES
   METAL-INSULATOR-TRANSITION
   HIGH-TEMPERATURE SUPERCONDUCTIVITY
   ONE-DIMENSIONAL CA3CO2O6
   ELECTRONIC-STRUCTURE
   MAGNETIC-PROPERTIES
   TRANSPORT-PROPERTIES
   STATE TRANSITION
   FUEL-CELLS
   CRYSTAL-STRUCTURE
Кл.слова (ненормированные):
Cobalt oxides -- Lanthanides -- Orbital degrees of freedom -- Orbital ordering -- Quasi-one-dimensional -- Spin state -- Superconducting compounds -- Theoretical result -- Calcium -- Cobalt -- Lanthanum -- Oxide minerals -- Perovskite -- Spin dynamics -- Superconductivity -- Cobalt compounds
Аннотация: Complex cobalt oxides known as cobaltites are reviewed, including LnCoO(3)-based perovskite-structured rare-earth cobaltites (where Ln is lanthanum or a lanthanide), quasi-two-dimensional and quasi-one-dimensional cobaltites of the types LnCo(2)O(5+delta), La2CoO4, and Ca3Co2O8, and NaxCoO2 center dot yH(2)O superconducting compounds. Key experimental and theoretical results are presented, with emphasis on the interplay between charge, spin, and orbital degrees of freedom. Two problems of specific relevance to cobaltites - the spin state instability of Co3+ ions in LnCoO(3), and the nature of superconductivity in NaxCoO2 center dot yH(2)O - are also given significant attention.

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Держатели документа:
[Ivanova, N. B.
Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660074, Russia
[Ovchinnikov, S. G.
Korshunov, M. M.
Kazak, N. V.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Korshunov, M. M.
Eremin, I. M.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
[Eremin, I. M.] Kazan VI Lenin State Univ, Kazan 420008, Russia
ИФ СО РАН
Siberian Federal University, ul. Kirenskogo 26, 660074 Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50-38, 660036 Krasnoyarsk, Russian Federation
Max-Planck-Institut FuE R Physik Komplexer Systeme, NoE thnitzer Straue 38, D-01187 Dresden, Germany
Kazan State University, ul. Kremlevskaya 18, 420008 Kazan, Russian Federation

Доп.точки доступа:
Ivanova, N. B.; Иванова, Наталья Борисовна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Korshunov, M. M.; Коршунов, Максим Михайлович; Eremin, I. M.; Kazak, N. V.; Казак, Наталья Валерьевна; RFBR [09-02-00171-a, 07-02-00226, 09-02-00127]; Federal Agency of Science and Innovation [MK-4278.2008.2]; Presidium of the Russian Academy of Sciences [5, 7]; Leading Science Schools of the Ministry of Education and Science of the Russian Federation [2.1.1/3199]
}
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Flerov, I. N.
Heat capacity and p-T phase diagrams of the ordered perovskites Pb2MgWO6 and Pb2CoWO6 / I. N. Flerov, M. V. Gorev, P. . Sciau // J. Phys.: Condens. Matter. - 2000. - Vol. 12, Is. 5. - P. 559-567, DOI 10.1088/0953-8984/12/5/304. - Cited References: 25 . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
CRYSTAL-STRUCTURE
   X-RAY
   TRANSITIONS
   PRESSURE
Аннотация: The heat capacities of Pb2MgWO6 and Pb2CoWO6 and the effect of hydrostatic pressure on the phase transitions have been studied on powdered samples by means of an adiabatic calorimeter and DTA performed under pressure, respectively. Thermodynamic parameters, such as change of total excess entropy, latent hear and hysteresis of the phase transition temperature were determined. Entropies and p-T phase diagrams are discussed in connection with structural data.

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Держатели документа:
LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
CNRS, CEMES, F-31055 Toulouse, France
ИФ СО РАН
L V Kirensky Institute of Physics, 660036 Krasnoyarsk, Russian Federation
CEMES-CNRS, 29 rue Jeanne Marvig, 31055 Toulouse, France

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Sciau, P.; Флёров, Игорь Николаевич
}
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Modification of the standard model for the lanthanides / U. . Lundin [et al.] // Solid State Commun. - 2000. - Vol. 115, Is. 1. - P. 7-12, DOI 10.1016/S0038-1098(00)00126-5. - Cited References: 33 . - ISSN 0038-1098

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE CALCULATIONS
   DENSITY-FUNCTIONAL THEORY
   PARTICLE BAND-STRUCTURE
   AB-INITIO CALCULATIONS
   FERROMAGNETIC NICKEL
   COHESIVE PROPERTIES
   CRYSTAL-STRUCTURE
   MOTT INSULATORS
   FERMION SYSTEMS
   PR METAL
Кл.слова (ненормированные):
metals -- electronic band structure -- Band structure -- Elastic moduli -- Kohn-Sham scheme -- Rare earth elements
Аннотация: We show that incorporation of strong electron correlations into the Kohn-Sham scheme of band structure calculations leads to a modification of the standard model of the lanthanides and that this procedure removes the existing discrepancy between theory and experiment concerning the ground state properties. Within the picture suggested, part of the upper Hubbard f-band is occupied due to conduction band-f-mixing interaction (that is renormalized due to correlations) and this contributes to the cohesive energy of the crystal. The lower Hubbard band has zero width and describes fermionic excitations in the shell of localized f-s. Fully self-consistent calculations (with respect to both charge density and many-electron population numbers of the f-shell) of the equilibrium volume V-0 and the bulk modulus of selected lanthanides have been performed and a good agreement with experiment is obtained. (C) 2000 Elsevier Science Ltd. All rights reserved.

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Держатели документа:
Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Condensed Matter Theory Group, Dept. Phys., Univ. Uppsala, B., Uppsala, Sweden
Kirensky Institute of Physics, Russian Academy of Sciences, 660036, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Lundin, U.; Sandalov, I.; Eriksson, O.; Johansson, B.
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Effect of electron correlations on the structure of photoprotein substrates / S. G. Ovchinnikov [et al.] // JETP Letters. - 2010. - Vol. 91, Is. 9. - P. 490-493, DOI 10.1134/S0021364010090122. - Cited References: 14. - This work was supported by the Russian Foundation for Basic Research (project no. 07-04-00930-a), by the Presidium of the Russian Academy of Sciences (program "Molecular and Cellular Biology"), and by the Siberian Branch, Russian Academy of Sciences (project no. 2). . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
ANGSTROM RESOLUTION
   CRYSTAL-STRUCTURE
   AEQUORIN
   ENERGY
   OBELIN
   GAS
Аннотация: The electronic structure and total energy of various isomeric forms of coelenterazine and coelenteramide have been calculated by quantum chemistry methods both in the single-electron approximation and taking into account correlation effects. It has been shown that the inclusion of electron correlations makes it possible to obtain the structure of the coelenteramide close to the experimentally determined structure, as well as to choose the structure of the coelenterazine CLZ(1H) as the most probable isomeric form.

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Держатели документа:
[Ovchinnikov, S. G.
Tomilin, F. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Ovchinnikov, S. G.
Antipina, L. Yu.
Tomilin, F. N.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Antipina, L. Yu.; Tomilin, F. N.; Томилин, Феликс Николаевич; Kuzubov, A. A.; Кузубов, Александр Александрович
}
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10.

Phase transitions in the (NH4)(2)NbOF5 oxyfluoride / V. D. Fokina [et al.] // Phys. Solid State. - 2010. - Vol. 52, Is. 4. - P. 781-788, DOI 10.1134/S1063783410040189. - Cited References: 13. - We would like to thank A. A. Udovenko (Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, Vladivostok, Russia) for kindly supplied detailed data on the atomic coordinates in the structure of the (NHINF4/INF)INF2/INFNbOFINF5/INF oxyfluoride.This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00062) and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (grant no. NSh-1011.2008.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
CRYSTAL-STRUCTURE
   (NH4)(2)WO2F4
   MECHANISM
   DISORDER
Аннотация: The thermal and dielectric properties of the (NH4)(2)NbOF5 oxyfluoride have been investigated. It has been established that the structural phase transitions Cmc2(1) - C2 - Ia observed at the temperatures T (1) = 258.0 K and T (2) = 218.9 K exhibit a nonferroelectric nature. The hydrostatic pressure, which stabilizes the initial phase and destabilizes the low-temperature phase, hardly affects the temperature range of stability of the intermediate phase. The model of sequential ordering of the structural elements due to phase transitions has been analyzed using experimental data on the entropies of the phase transitions.

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Держатели документа:
[Fokina, V. D.
Bogdanov, E. V.
Gorev, M. V.
Molokeev, M. S.
Flerov, I. N.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Fokina, V. D.
Gorev, M. V.
Pogorel'tsev, E. I.
Flerov, I. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Laptash, N. M.] Russian Acad Sci, Far Eastern Branch, Inst Chem, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, pr. Svobodny 79, Krasnoyarsk 660041, Russian Federation
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Fokina, V. D.; Фокина, Валентина Дмитриевна; Bogdanov, E. V.; Богданов, Евгений Витальевич; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Pogorel'tsev, E. I.; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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