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Вид документа : Однотомное издание
Шифр издания : В37/О-66 рукописный текст
Автор(ы) : Орлов, Юрий Сергеевич
Заглавие : Электронная структура и свойства сильно коррелированных систем со спиновым кроссовером : дис. на соиск. уч. степени канд. физ.-мат. наук : 01.04.07
Выходные данные : Красноярск, 2010
Колич.характеристики :109 с
Коллективы : Российская академия наук, Сибирское отделение РАН, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Примечания : Библиогр.: 136 назв.
ГРНТИ : 29.19.24 + 29.19.37
ББК : В373.3я031
Экземпляры :Дс(1)
Свободны : Дс(1)
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Orlov Yu.S., Ovchinnikov S. G., Dudnikov V. A., Fedorov A. S., Kuzubov A. A.
Заглавие : Structural properties and high temperature spin and electronic transitions in GdCoO[[d]]3[[/d]]: experiment and theory
Коллективы : Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism
Место публикации : V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism: abstracts. - Vladivostok: FEFU, 2013. - С. 200. - ISBN 978-5-7444-3124-2
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Dudnikov V. A., Ovchinnikov S. G., Orlov Yu.S., Kazak N. V., Michel C. R., Patrin G. S., Yurkin G.Yu.
Заглавие : Contribution of Co3+ ions to the high-temperature magnetic and electrical properties of GdCoO3
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 5. - P.841-849. - ISSN 1063-7761, DOI 10.1134/S106377611203003X
Примечания : 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.
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu.S., Solovyov L. A., Dudnikov V. A., Fedorov A. S., Kuzubov A. A., Kazak N. V., Voronov V. N., Vereshchagin S. N., Shishkina N. N., Perov N. S., Lamonova K. V., Babkin R.Yu., Pashkevich Yu.G., Anshits A. G., Ovchinnikov S. G.
Заглавие : Structural properties and high-temperature spin and electronic transitions in GdCoO3: Experiment and theory
Место публикации : Phys. Rev. B: American Physical Society, 2013. - Vol. 88, Is. 23. - Ст.235105. - P. - ISSN 1098-0121, DOI 10.1103/PhysRevB.88.235105
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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Orlov Yu. S.
Заглавие : Temperature andmagnetic field dependent LDA+GTB band structure of LaCoO3
Коллективы : 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)
Место публикации : 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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Вид документа : Статья из журнала
Шифр издания : Physics, Applied/C94
Автор(ы) : Korshunov M. M., Ovchinnikov S. G., Shneyder E. I., Gavrichkov V. A., Orlov Yu.S., Nekrasov I. A., Pchelkina Z. V.
Заглавие : Cuprates, manganites and cobaltites: Multielectron approach to the band structure
Место публикации : Mod. Phys. Lett. B: WORLD SCIENTIFIC PUBL CO PTE LTD, 2012. - Vol. 26, Is. 24. - Ст.1230016. - ISSN 0217-9849, DOI 10.1142/S0217984912300165
Примечания : 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.
Предметные 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
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Orlov Yu.S., Dudnikov V. A.
Заглавие : Temperature and field dependent electronic structure and magnetic properties of LaCoO3 and GdCoO3
Коллективы : Moscow International Symposium on Magnetism
Место публикации : J. Magn. Magn. Mater./ Moscow international symposium on magnetism (5 ; 2011 ; 21–25 aug. ; Moscow): Elsevier Science BV, 2012. - Vol. 324, Is. 21. - P.3584-3587. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2012.02.096
Примечания : 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.
Предметные рубрики: SPIN-STATE TRANSITION
CHARGE
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Orlov Yu.S., Dudnikov V. A., Ovchinnikov S. G.
Заглавие : Concentration dependence of the spin-gap in solid solutions La1-xGdxCoO3. Structural properties and high-temperature spin and electronic transirions in GdCoO3
Коллективы : Байкальская Международная конференция "Магнитные материалы. Новые технологии", "Магнитные материалы. Новые технологии", Байкальская Международная конференция, "Magnetic materials. New tecnologies", Baikal International Conference, Иркутский государственный университет
Место публикации : 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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Orlov Yu. S., Dudnikov V. A., Solovyov L. A., Anshits A. G., Vereshchagin S. N., Perov N. S.
Заглавие : Magnetic and electronic properties of Mott insulators close to spin crossover
Коллективы : Moscow International Symposium on Magnetism, Московский государственный университет им. М.В. Ломоносова
Место публикации : Moscow Int. Symp. on Magnet. (MISM-2014): Book of abstracts. - 2014. - Ст.2TL-С-7. - P.706. - ISBN 978-5-91978-025-0
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kim J., Struzhkin V. V., Ovchinnikov S. G., Orlov Yu. S., Shvyd'ko Y., Upton M. H., Casa D., Gavriliuk A. G., Sinogeikin S. V.
Заглавие : Pressure-induced spin transition and evolution of the electronic excitations of FeBO3: Resonant inelastic x-ray scattering results
Коллективы : 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]
Место публикации : Europhys. Lett. - 2014. - Vol. 108, Is. 3. - Ст.37001. - ISSN 0295-5075, DOI 10.1209/0295-5075/108/37001. - ISSN 1286-4854
Примечания : 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".
Предметные 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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