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    Орлов, Юрий Сергеевич.
    Электронная структура и свойства сильно коррелированных систем со спиновым кроссовером [Рукопись] : дис. на соиск. уч. степени канд. физ.-мат. наук : 01.04.07 / Ю. С. Орлов ; науч. рук. С. Г. Овчинников ; Рос. акад. наук, Сиб. отд-ние, Ин-т физики им. Л.В. Киренского. - Красноярск, 2010. - 109 с. - Библиогр.: 136 назв. -

ГРНТИ

29.19.24

29.19.37

ББК В373.3я031

Держатели документа:
Библиотека Института физики им. Л. В. Киренского СО РАН
Доп.точки доступа:
Овчинников, Сергей Геннадьевич \науч. рук.\; Ovchinnikov, S. G.; Orlov Yu.S.; Российская академия наук; Сибирское отделение РАН; Институт физики им. Л.В. Киренского Сибирского отделения РАН
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Structural properties and high temperature spin and electronic transitions in GdCoO[[d]]3[[/d]]: experiment and theory [Текст] / Yu. S. Orlov [и др.] // V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism : abstracts. - Vladivostok : FEFU, 2013. - P200 . - ISBN 978-5-7444-3124-2

Доп.точки доступа:
Orlov, Yu.S.; Орлов, Юрий Сергеевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Fedorov, A. S.; Федоров, Александр Семенович; Kuzubov, A. A.; Кузубов, Александр Александрович; Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism(5 ; 2013 ; Sept. ; 15-21 ; Vladivostok)
}
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Contribution of Co3+ ions to the high-temperature magnetic and electrical properties of GdCoO3 / V. A. Dudnikov [et al.] // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 5. - P. 841-849, DOI 10.1134/S106377611203003X. - Cited References: 28. - This work was supported by the Ural Branch of the Russian Academy of Sciences and Siberian Branch of the Russian Academy of Sciences (project no. 40), the Russian Foundation for Basic Research (project nos. 09-02-00171-a, 10-02-00251), program 2.3 of the Department of Physical Sciences of Russian Academy of Sciences, and Nonprofit Dinastiya Foundation. . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
SPIN-STATE
   RCOO3 R
   TRANSITIONS
   COBALTITES
   LACOO3
   OXIDES
   SM
   EU
   ND
Аннотация: The temperature dependence of the static magnetization of polycrystalline rare-earth cobaltite GdCoO3 is measured in the temperature range 2-800 K. The magnetic behaviors of GdCoO3 and Gd3+ are found to be different at temperatures above room temperature, which is caused by the appearance of a contribution from Co3+ ions at high temperatures. The temperature dependence of the magnetic susceptibility of GdCoO3 is determined by the magnetization of rare-earth gadolinium ions and the additional paramagnetic contribution induced by the thermally excited magnetic terms of Co3+ ions. The LDA + GTB method is used to calculate the electronic structure of GdCoO3 in the temperature range 0-300 K with allowance for strong electron correlations. The energy spectrum of GdCoO3 is found to have intragap states that decrease the dielectric gap width with increasing temperature.

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Публикация на русском языке Вклад ионов Co3+ в высокотемпературные магнитные и электрические свойства GdCoO3 [Текст] / В. А. Дудников [и др.] // Ж. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 5. - С. 966-975

Держатели документа:
[Dudnikov, V. A.
Ovchinnikov, S. G.
Orlov, Yu S.
Kazak, N. V.
Patrin, G. S.
Yurkin, G. Yu] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Dudnikov, V. A.] Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
[Ovchinnikov, S. G.
Patrin, G. S.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Michel, C. R.] Univ Guadalajara, Guadalajara 44430, Jalisco, Mexico

Доп.точки доступа:
Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Orlov, Yu.S.; Орлов, Юрий Сергеевич; Kazak, N. V.; Казак, Наталья Валерьевна; Michel, C. R.; Patrin, G. S.; Патрин, Геннадий Семёнович; Yurkin, G.Yu.; Юркин, Глеб Юрьевич
}
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    Structural properties and high-temperature spin and electronic transitions in GdCoO3: Experiment and theory / Yu. S. Orlov [et al.] // Phys. Rev. B. - 2013. - Vol. 88, Is. 23. - Ст. 235105. - P. , DOI 10.1103/PhysRevB.88.235105 . - ISSN 1098-0121
   Перевод заглавия: Структурные свойства и высокотемпературные спиновые и электронные переходы в GdCoO3: эксперимент и теория
Аннотация: We have investigated the x-ray diffraction (XRD) structure, magnetic susceptibility, and heat capacity of GdCoO3 in a wide temperature range. A model of phase separation of the low-spin (LS) and high-spin (HS) states has been proposed based on the analysis of XRD peak shape anomalies in the temperature range 200-800 K. From magnetic measurements we separated the HS Co3+ contribution and fitted it with the temperature-dependent spin gap. We found a smooth LS-HS crossover at T=800 K. The possible contribution of the intermediate spin (IS) state to the thermodynamics is excluded by the calculation IS-LS excitation energy within the modified crystal-field approach. In the two-phase model, with HS/LS probabilities calculated from the found spin gap and the LS and HS volumes calculated by the DFT-GGA method, we were able to reproduce the temperature dependence of the unit-cell volume and thermal expansion. Thus, we conclude that in GdCoO3 the main mechanism of the lattice expansion is not the conventional lattice anharmonicity, but the HS/LS fluctuations. The electronic structure has been calculated by the LDA+GTB method. At zero temperature, we have obtained the charge-transfer insulator with the charge gap Eg=0.5 eV. The thermal population of the HS term results in the in-gap band formation inside the insulator gap and smooth insulator-metal transition at TIMT=780 K. Heat-capacity measurements revealed a smooth maximum near the TIMT. © 2013 American Physical Society.

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Держатели документа:
Russian Acad Sci, LV Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660049, Russia
Moscow MV Lomonosov State Univ, Fac Phys, Moscow 119991, Russia
Natl Acad Sci Ukraine, OO Galkin Donetsk Inst Phys & Engn, UA-83114 Donetsk, Ukraine
MF Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia;

Доп.точки доступа:
Orlov, Yu.S.; Орлов, Юрий Сергеевич; Solovyov, L. A.; Соловьев, Леонид Александрович; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Fedorov, A. S.; Федоров, Александр Семенович; Kuzubov, A. A.; Кузубов, Александр Александрович; Kazak, N. V.; Казак, Наталья Валерьевна; Voronov, V. N.; Воронов, Владимир Николаевич; Vereshchagin, S. N.; Shishkina, N. N.; Perov, N. S.; Lamonova, K. V.; Babkin, R.Yu.; Pashkevich, Yu.G.; Anshits, A. G.; Аншиц, Александр Георгиевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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    Ovchinnikov, S. G.
    Temperature andmagnetic field dependent LDA+GTB band structure of LaCoO3 / S. G. Ovchinnikov, Yu. S. Orlov // V. V. Nemoshkalenko Memor. Conf. and Workshop "Electronic Struct. and Electron Spectrosc." (ES&ES 2013). - 2013. - P.
Аннотация: Quasiparticle band structure of spin singlet Mott insulator LaCoO3 is calculated within the multielectron LDA+GTB approach. The low spin (LS) Co+3 ground term is separated by a small spin gap Es ~10 meV from the nearest excited high spin (HS) term. At T=0 the top of the valence (bottom of conductivity) band is determined by the electron removal (addition) to the LS terms of d5(d7) configuration. The large insulator gap is equal to Eg=1.5 eV. At finite temperature the nonzero population of the HS d6 configuration results in the additional HS d6 ‐HS d5 electron removal excitation forming the in‐gap band below the bottom of the valence band. The width of the in‐gap increases with temperature, Eg decreases up to zero at TIMT=585. Smooth insulator metal transition occurs around this temperature. The magnetic susceptibility has two maxima, the first at T~Es,  and the second at TIMT. Strong magnetic field also decrease Es and at T=0 the insulator metal transition takes place at H65T. For another ReCoO3 higher value of the spin gap shifts spin transition and insulator –metal transition to higher temperatures.

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Доп.точки доступа:
Orlov, Yu. S.; Орлов, Юрий Сергеевич; Овчинников, Сергей Геннадьевич; Национальная Академия наук Украины; Институт металлофизики НАН Украины; "Electronic Structure and Electron Spectroscopies", V. V. Nemoshkalenko Memorial Conference and Workshop (20-23 may 2013 ; Kiev, Ukraine)
}
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Cuprates, manganites and cobaltites: Multielectron approach to the band structure / M. M. Korshunov [et al.] // Mod. Phys. Lett. B. - 2012. - Vol. 26, Is. 24. - Ст. 1230016, DOI 10.1142/S0217984912300165. - Cited References: 93. - We are thankful to O. K. Andersen, V. I. Anisimov, A. F. Barabanov, K. I. Kikoin, N. M. Plakida, S. Sakai, A.-M.S. Tremblay, V. V. Val'kov, and R. O. Zaitsev for useful discussions. This work was supported by the Presisium of RAS program Quantum physics of condensed matter N 20.7, Grant "Leading scientific schools of Russia" (NSh 1044-2012.2), RFBR (Grant No. 09-02-00127), Integration Grant of SBRAS-UrBRAS N 44, Grant of President of Russia MK-1683.2010.2, FCP Scientific and Research-and-Educational Personnel of Innovative Russia for 2009-2013 (GK 16.740.12.0731 and GK 16.740.11.0740), and Siberian Federal University (Theme N F-11). M.M.K. and E.I.S. acknowledges support from The Dynasty Foundation and ICFPM. . - ISSN 0217-9849

РУБ Physics, Applied + Physics, Condensed Matter + Physics, Mathematical
Рубрики:
HIGH-TEMPERATURE SUPERCONDUCTORS
   MEAN-FIELD THEORY
   DENSITY-FUNCTIONAL FORMALISM
   CORRELATED ELECTRON-SYSTEMS
   TRANSITION-METAL COMPOUNDS
   SPIN-STATE TRANSITION
   T-J MODEL
   MAGNETIC-PROPERTIES
   COPPER OXIDES
   LaCoO3
Кл.слова (ненормированные):
LDA plus GTB method -- strongly-correlated systems -- band structure
Аннотация: High-T-c superconductors with CuO2 layers, manganites La1-xSrxMnO3 and cobaltites LaCoO3 present several mysteries in their physical properties. Most of them are believed to come from the strongly-correlated nature of these materials. From the theoretical viewpoint, there are many hidden rocks in making the consistent description of the band structure and low-energy physics starting from the Fermi-liquid approach. Here, we discuss the alternative method - multielectron approach to the electronic structure calculations for the Mott insulators - called LDA + GTB (local density approximation + generalized tight-binding) method. Its origin is a straightforward generalization of the Hubbard perturbation theory in the atomic limit and the multiband p - d Hamiltonian with the parameters calculated within LDA. We briefly discuss the method and focus on its applications to cuprates, manganites and cobaltites.

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Держатели документа:
[Korshunov, M. M.
Ovchinnikov, S. G.
Shneyder, E. I.
Gavrichkov, V. A.
Orlov, Yu. S.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Korshunov, M. M.
Ovchinnikov, S. G.
Gavrichkov, V. A.
Orlov, Yu. S.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Shneyder, E. I.] Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
[Nekrasov, I. A.] Russian Acad Sci, Inst Electrophys, Ekaterinburg 620016, Russia
[Pchelkina, Z. V.] Russian Acad Sci, Inst Met Phys, Ekaterinburg 620219, Russia
L. V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk 660041, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk 660014, Russian Federation
Institute for Electrophysics, Russian Academy of Sciences, Ekaterinburg 620016, Russian Federation
Institute for Metal Physics, Russian Academy of Sciences, Ekaterinburg 620219, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Orlov, Yu.S.; Орлов, Юрий Сергеевич; Nekrasov, I. A.; Pchelkina, Z. V.
}
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Ovchinnikov, S. G.
Temperature and field dependent electronic structure and magnetic properties of LaCoO3 and GdCoO3 / S. G. Ovchinnikov, Yu. S. Orlov, V. A. Dudnikov ; Moscow international symposium on magnetism (5th ; August 21–25, 2011 ; Moscow) // J. Magn. Magn. Mater. - 2012. - Vol. 324, Is. 21. - P. 3584-3587, DOI 10.1016/j.jmmm.2012.02.096. - Cited References: 25. - We acknowledge discussions with G.A. Sawatzky, M.W. Haverkort, S.V. Nikolaev and V.A. Gavrichkov. This work is supported by the Siberia-Urals integration project no. 44, SBRAS project no. 38, Presidium RAS Program 20, RFBR Grant no. 10-02-00251. . - ISSN 0304-8853

РУБ Physics, Condensed Matter + Materials Science, Multidisciplinary
Рубрики:
SPIN-STATE TRANSITION
CHARGE
Кл.слова (ненормированные):
Electronic structure -- Spin crossover -- Insulator-metal transition
Аннотация: The transformation of the band structure of LaCoO3 in the applied magnetic field has been theoretically studied. If the field is below its critical value B-C approximate to 65 T, the dielectric band gap decreases with the field, thus giving rise to negative magnetoresistance that is highest at T approximate to 300 divided by 500 K. The critical field is related to the crossover between the low- and high-spin terms of Co3+ ions. The spin crossover results in an insulator-metal transition induced by an increase in the magnetic field. Similar calculations have been done for GdCoO3 which is characterized by large spin gap similar to 2000K. (C) 2012 Elsevier B.V. All rights reserved.

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Доп.точки доступа:
Orlov, Yu.S.; Орлов, Юрий Сергеевич; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Овчинников, Сергей Геннадьевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
}
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Orlov, Yu. S.
Concentration dependence of the spin-gap in solid solutions La1-xGdxCoO3. Structural properties and high-temperature spin and electronic transirions in GdCoO3 / Yu. S. Orlov, V. A. Dudnikov, S. G. Ovchinnikov // Магнитные материалы. Новые технологии : тез. докл. VI Байкал. междунар. конф. BICMM-2014. - Иркутск, 2014. - P. 91 . - ISBN 978-5-9624-1024-1

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Доп.точки доступа:
Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Орлов, Юрий Сергеевич; Байкальская Международная конференция "Магнитные материалы. Новые технологии"(6 ; 2014 ; авг. ; 19-23 ; пос. Большое Голоустное, Иркутская обл.); "Магнитные материалы. Новые технологии", Байкальская Международная конференция(6 ; 2014 ; авг. ; 19-23 ; пос. Большое Голоустное, Иркутская обл.); "Magnetic materials. New tecnologies", Baikal International Conference(6 ; 2014 ; Aug. 19-23 ; Bol’shoe Goloustnoe, Irkutsk region); Иркутский государственный университет
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    Magnetic and electronic properties of Mott insulators close to spin crossover [Текст] / S. G. Ovchinnikov [et al.] // Moscow Int. Symp. on Magnet. (MISM-2014) : Book of abstracts. - 2014. - Ст. 2TL-С-7. - P. 706 . - ISBN 978-5-91978-025-0
   Перевод заглавия: Магнитные и электронные свойства Моттовских диэлектриков вблизи спинового кроссовера

Материалы конференции,
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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Solovyov, L. A.; Соловьев, Леонид Александрович; Anshits, A. G.; Аншиц, Александр Георгиевич; Vereshchagin, S. N.; Perov, N. S.; Moscow International Symposium on Magnetism(6 ; 2014 ; 29 June-3 July ; Moscow); Московский государственный университет им. М.В. Ломоносова
}
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10.

Pressure-induced spin transition and evolution of the electronic excitations of FeBO3: Resonant inelastic x-ray scattering results / J. Kim [et al.] // Europhys. Lett. - 2014. - Vol. 108, Is. 3. - Ст. 37001, DOI 10.1209/0295-5075/108/37001. - Cited References: 47. - High-pressure work was supported by DOE under Contract No. DE-FG02-02ER45955. The use of the Advanced Photon Source at the Argonne National Laboratory was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. SGO and YuO acknowledge the President of Russia Grants NSh-1044.2012.2 and MK-1168.2012.2, the Presidium of the Russian Academy of Sciences Program 2, RFFI Grants 12-02-90410 and 12-02-31543, FCP GK-P891, and the Siberian Federal University Grant F11. AGG acknowledges support from the Russian Foundation for Basic Research grants 14-02-00483 and 15-02-03770 from RAS programs "Strongly correlated electron systems", "Elementary particle physics, fundamental nuclear physics and nuclear technologies". . - ISSN 0295-5075. - ISSN 1286-4854

РУБ Physics, Multidisciplinary
Рубрики:
LOWER-MANTLE
   SPECTRA
   STATE
   EMISSION
   COLLAPSE
   SYSTEMS
   OXIDES
   METAL
Аннотация: A high-pressure resonant inelastic x-ray scattering (RIXS) of FeBO3 at the Fe K pre-edge has been carried out to study the evolution of electronic excitations through the pressure-induced spin transition. Systematic peak shifts with insignificant peak width change are observed with increasing pressure in the high-spin state. An electronic transition occurs in tandem with the high-spin to low-spin transition, observed as the emergence of multiple new low-energy peaks in the spectra. The energy gap is reduced due to these low-energy peaks, not a peak width broadening. The observed electronic excitations are associated with dd excitations, which are calculated using a full-multiplet theory. We consider changes in crystal-field splitting and covalency to explain the observed peak shifts in the high-spin state. The new peaks that emerge upon the high- to low-spin transition are compared with dd excitations for the low-spin configuration. Copyright (C) EPLA, 2014

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Держатели документа:
Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA
Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci Troitsk, Inst Nucl Res, Moscow 142190, Russia
Russian Acad Sci, Inst Crystallog, Moscow 119333, Russia
Carnegie Inst Sci, HPCAT, Argonne, IL 60439 USA

Доп.точки доступа:
Kim, J.; Struzhkin, V. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Shvyd'ko, Y.; Upton, M. H.; Casa, D.; Gavriliuk, A. G.; Sinogeikin, S. V.; DOE [DE-FG02-02ER45955]; U.S. DOE [DE-AC02-06CH11357]; President of Russia Grants [NSh-1044.2012.2, MK-1168.2012.2]; Presidium of the Russian Academy of Sciences Program 2, RFFI [12-02-90410, 12-02-31543]; Siberian Federal University Grant [F11]; Russian Foundation for Basic Research grants from RAS programs [14-0200483, 15-02-03770]; FCP [GK-P891]
}
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