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Electronic structure of α-SrB[[d]]4[[/d]]O[[d]]7[[/d]]: experiment and theory / V. V. Atuchin [et al.]> // J. Phys.: Condens. Matter. - 2013. - Vol. 25, no. 8. - Ст. 085503DOI 10.1088/0953-8984/25/8/085503
Перевод заглавия: Электронная структура α-SrB4O7: эксперимент и теория Аннотация: The investigation of valence band structure and electronic parameters of constituent element core levels of α-SrB4O7 has been carried out with x-ray photoemission spectroscopy. Optical-quality crystal α-SrB4O7 has been grown by the Czochralski method. Detailed photoemission spectra of the element core levels have been recorded from the powder sample under excitation by nonmonochromatic Al Kα radiation (1486.6 eV). The band structure of α-SrB4O7 has been calculated by ab initio methods and compared to XPS measurements. It has been found that the band structure of α-SrB4O7 is weakly dependent on the Sr-related states.
Смотреть статью, WOS, Читать в сети ИФ Держатели документа: SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090 90, Russia SB RAS, Inst Semicond Phys, Lab Phys Bases Integrated Microelect, Novosibirsk 630090 90, Russia SB RAS, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036 36, Russia Siberian Fed Univ, Krasnoyarsk 660041 41, Russia SB RAS, Inst Phys, Lab Coherent Opt, Krasnoyarsk 660036 36, Russia Доп.точки доступа: Atuchin, V. V.; Zaitsev, A. I.; Зайцев, Александр Иванович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Kuzubov, A. A.; Кузубов, Александр Александрович; Ignatova, N. Y.; Kesler, V. G. } Найти похожие
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Magnetic, structural, and electronic properties of iron sulfide Fe3S4 nanoparticles synthesized by the polyol mediated process / I. S. Lyubutin [et al.]> // J. Nanopart. Res. - 2013. - Vol. 15. - P. 1397DOI 10.1007/s11051-012-1397-0
Перевод заглавия: Магнитные, структурные и электронные свойства наночастиц сульфида железа Fe3S4, полученных полиол-синтезом Аннотация: Iron sulfide nanoparticles Fe3S4 with the spinel-type crystal structure were synthesized by the polyol mediated process. The particle size depends on preparation conditions and varies from 9 to 20 nm. Mössbauer data have revealed that the dominating fraction of iron ions in the 9-nm sample is in the high-spin ferric state. This implies an occurrence of the cation vacancies in nonstoichiometric greigite. The stoichiometric phase of greigite Fe3S4 dominates in the 18-nm-size nanoparticles. Magnetic measurements have shown a ferrimagnetic behavior of all samples at temperatures between 78 and 300 K. The estimated value of magnetic moment of the stoichiometric greigite nanoparticles is about 3.5 μB per Fe3S4 unit. The Mössbauer spectra indicate a superparamagnetic behavior of small particles, and some fraction of superparamagnetic phase is observed in all samples synthesized which may be caused by the particle size distribution. The blocking temperatures of T B ≈ 230 and 250 K are estimated for the 9 and 14 nm particles, respectively. The Mössbauer parameters indicate a great degree of covalency in the Fe–S bonds and support the fast electron Fe3+ ⇆ Fe2+ exchange in the B-sites of greigite. An absence of the Verwey transition at temperatures between 90 and 295 K is established supporting a semimetal type of conductivity. The temperature and magnetic field dependences of the magnetic circular dichroism (MCD) of optical spectra were measured in Fe3S4 for the first time. The spectra differ substantially from that of the isostructural oxide Fe3O4. It is supposed that the MCD spectra of greigite nanoparticles result from the collective electron excitations in a wide band with superimposed peaks of the d–d transitions in Fe ions.
Смотреть статью, WOS, Читать в сети ИФ Держатели документа: Russian Acad Sci, AV Shubnikov Crystallog Inst, Moscow 119333, Russia Southern Taiwan Univ Sci & Technol, Dept Mech Engn, Inst Nanotechnol, Tainan 710, Taiwan Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia Доп.точки доступа: Lyubutin, I. S.; Starchikov, S. S.; Lin, Chun-Rong; Lu, Shin-Zong; Shaikh, M. O.; Funtov, K. O.; Dmitrieva, T. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Edelman, I. S.; Ivantsov, R. D.; Иванцов, Руслан Дмитриевич } Найти похожие
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Electronic structure of α-SrB4O7: Experiment and theory / A. S. Aleksandrovsky [et al.]> // The 7th Russian-French workshop on Nanosciences and Nanotechnologies : Program and abstract book / ed. A. V. Okotrub. - Novosibirsk, 2013. - P. 47
. - ISBN 978-5-901688-29-8 Перевод заглавия: Электронная структура α-SrB4O7: эксперимент и теория
Материалы конференции Доп.точки доступа: Okotrub, A.V. \ed.\; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Atuchin, V. V.; Kesler, V. G.; Zaitsev, A. I.; Зайцев, Александр Иванович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kuzubov, A. A.; Кузубов, Александр Александрович; Ignatova, N. Y.; Russian-French workshop on Nanosciences and Nanotechnologies(7 ; 2013 ; Jun. ; 3-6 ; Новосибирск); Российская академия наук; Сибирское отделение РАН; Институт неорганической химии им. А.В. Николаева Сибирского отделения РАН; Институт катализа им. Г.К. Борескова Сибирского отделения РАН; Институт физики полупроводников им. А.В. Ржанова Сибирского отделения РАН } Найти похожие
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Electronic structure of α-SrB4O7 / V. V. Atuchin [et al.]> // XVI Международная конференция "Опто-, наноэлектроника, нанотехнологии и микросистемы" : Труды. - Ульяновск, 2013. - P. 101-101
Перевод заглавия: Электронная структура α-SrB4O7
Материалы конференции Доп.точки доступа: Atuchin, V. V.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Ignatova, N. Y.; Kesler, V. G.; Kuzubov, A. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zaitsev, A. I.; Зайцев, Александр Иванович; Институт нанотехнологий микроэлектроники РАН; Ульяновский государственный университет; Российский фонд фундаментальных исследований; Академия наук Татарстана; "Opto-, nanoelectronics, nanotechnology, and microsystems", International Conference (2013 ; Jul. ; 26-30 ; Ulyanovsk, Russia); "Опто-, наноэлектроника, нанотехнологии и микросистемы", международная конференция (2013 ; июль.; 26-30 ; Ульяновск) } Найти похожие
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Exploration on anion ordering, optical properties and electronic structure in K3WO3F3 elpasolite / V. V. Atuchin [et al.]> // J. Solid State Chem. - 2012. - Vol. 187. - P. 159-164, DOI 10.1016/j.jssc.2011.12.037. - Cited References: 50. - This study is partly supported by SB RAS Project No. 34. ZSL acknowledges the funding support of No. 91022036, 11174297, 2010CB630701, and 2011CB922204 in China. Authors also wish to thank V. D. Fokina for microcaloric measurements.
. - ISSN 0022-4596 Перевод заглавия: Исследование анионного упорядочения, оптических свойств и электронной структуры в эльпасолите K3WO3F3РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical + Chemical modification + Electronic structure + Optical properties + Potassium + Structure (composition) Рубрики: PHASE-TRANSITIONS CRYSTAL-GROWTH FERROELECTRIC K3WO3F3 SOLID-STATE OXYFLUORIDE FLUORIDE POLAR CS (NH4)(3)MOO3F3 APPROXIMATION Anion ordering Chemical routes Elpasolite First-priciples calculation Forbidden band Low temperatures Non-linear optical coefficients Nonlinear optical crystal Optical transparency Oxyfluorotungstate Room temperature Кл.слова (ненормированные): Oxyfluorotungstate -- Structure -- Nonlinear optical crystals -- Electronic and optical properties -- First-principles calculations Аннотация: Room-temperature modification of potassium oxyfluorotungstate, G(2)-K3WO3F3, has been prepared by low-temperature chemical route and single crystal growth. Wide optical transparency range of 0.3-9.4 mu m and forbidden band gap E-g=4.32 eV have been obtained for G(2)-K3WO3F3 crystal. Meanwhile, its electronic structure has been calculated with the first-principles calculations. The good agreement between the theorectical and experimental results have been achieved. Furthermore, G(2)-K3WO3F3 is predicted to possess the relatively large nonlinear optical coefficients. (C) 2012 Elsevier Inc. All rights reserved.
Смотреть статью, WoS, Scopus, Читать в сети ИФ Держатели документа: [Lin, Z. S.] Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China [Atuchin, V. V.] SB RAS, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia [Isaenko, L. I. Yelisseyev, A. P. Zhurkov, S. A.] SB RAS, Lab Crystal Growth, Inst Geol & Mineral, Novosibirsk 630090, Russia [Kesler, V. G.] Russian Acad Sci, Inst Semicond Phys, Lab Phys Principles Integrated Microelect, Novosibirsk 630090, Russia [Molokeev, M. S.] SB RAS, Lab Crystal Phys, Inst Phys, Krasnoyarsk 660036, Russia Доп.точки доступа: Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Lin, Z. S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yelisseyev, A. P.; Zhurkov, S. A. } Найти похожие
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Intrinsic edge asymmetry in narrow zigzag hexagonal heteroatomic nanoribbons causes their subtle uniform curvature / P. V. Avramov [et al.]> // J. Phys. Chem. Lett. - 2012. - Vol. 3, Is. 15. - P. 2003-2008, DOI 10.1021/jz300625t. - Cited References: 42. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and the Molecular Spintronics Group for hospitality and fruitful collaboration. D.G.F. thanks Prof. Kazuo Kitaura for many fruitful discussions and the Next Generation SuperComputing Project, Nanoscience Program and Strategic Programs for Innovative Research (MEXT, Japan) for financial support. This work was partially supported by Russian Ministry of Education and Science (Contract No. 16.552.11.7014) (P.B.S.).
. - ISSN 1948-7185РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical + Boron nitride + Density functional theory + Electronic structure + Fluorine + Graphene + Orbital calculations + Quantum chemistry + Silicon carbide Рубрики: MOLECULAR-ORBITAL METHOD WALLED CARBON NANOTUBES GRAPHENE NANORIBBONS ELECTRONIC-STRUCTURE OPTICAL-TRANSITIONS SOLIDS BOND Aromatic rings Conical surfaces Finite length Fragment molecular orbital methods Graphene nanoribbons Intrinsic curvature Nanoribbons Out-of-plane Structural stress Кл.слова (ненормированные): zigzag nanoribbons -- hexagonal atomic lattices -- fluorine-terminated graphene Аннотация: The atomic and electronic structure of narrow zigzag nanoribbons with finite length, consisting of graphene terminated by fluorine on one side, hexagonal (h) h-BN, and h-SiC were studied with density functional theory. It is found that the asymmetry of nanoribbon edges causes a uniform curvature of the ribbons due to structural stress in the aromatic ring plane. Narrow graphene nanoribbons terminated with fluorine on one side demonstrate a considerable out-of-plane bend, suggesting that the nanoribbon is a fraction of a conical surface. It is shown that the intrinsic curvature of the narrow nanoribbons destroys the periodicity and results in a systematic cancellation of the dipole moment. The in- and out- of-plane curvature of thin arcs allows their closure in nanorings or cone fragments of giant diameter. Using the fragment molecular orbital method, we optimized the structure of a planar giant arc and a closed ring of h-BN with a diameter of 105 nm.
Смотреть статью, Scopus, WoS, Читать в сети ИФ Держатели документа: [Avramov, Pavel V. Sakai, Seiji Entani, Shiro Ohtomo, Manabu Matsumoto, Yoshihiro Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan [Avramov, Pavel V.] LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia [Fedorov, Dmitri G.] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan [Sorokin, Pavel B.] Technol Inst Superhard & Novel Carbon Mat, Troitsk 142190, Moscow Region, Russia Доп.точки доступа: Avramov, P. V.; Аврамов, Павел Вениаминович; Fedorov, D. G.; Sorokin, P. B.; Sakai, S.; Entani, S.; Ohtomo, M.; Matsumoto, Y.; Naramoto, H. } Найти похожие
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Structural, spectroscopic, and electronic properties of cubic G0-Rb2KTiOF5 oxyfluoride / V. V. Atuchin [et al.]> // J. Phys. Chem. C. - 2013. - Vol. 117, Is. 14. - P. 7269-7278, DOI 10.1021/jp401391y. - Cited References: 80. - This study was supported by SB RAS (Grant 28.13), the National Natural Science Foundation of China under Grants 11174297 and 91022036, and the National Basic Research Project of China (Nos. 2010CB630701 and 2011CB922204).
. - ISSN 1932-7447 Перевод заглавия: Структурные, спектроскопические и электронные свойства кубического оксифторида G0-Rb2KTiOF5.РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary Рубрики: RAY PHOTOELECTRON-SPECTROSCOPY SURFACE CHEMICAL-STABILITY EFFECTIVE IONIC-RADII PHASE-TRANSITIONS CRYSTAL-GROWTH HEAT-CAPACITY CORE LEVELS RB2KTIOF5 FLUORIDES OXIDES Аннотация: The G0-Rb2KTiOF5 single crystals with dimensions up to nearly a centimeter in size have been prepared by slow solidification method. The elpasolite-related crystal structure of G0-Rb2KTiOF5 has been refined by Rietveld method at T = 298 K (space group Fm (3) over barm, Z = 4, a = 8.880(1) angstrom, V = 700.16(2) angstrom(3); R-B = 2.66%). The wide optical transparency range of 0.25-9 mu m and forbidden band gap of E-g = 3.87 eV have been obtained for the G0-Rb2KTiOF5 crystal. Dominating photoluminescence bands at 3.36 and 2.33 eV are related to free and self-trapped excitons, respectively. The electronic structure of G0-Rb2KTiOF5 has been evaluated by X-ray photoelectron spectroscopy and calculated with the first-principles methods. A good agreement between theoretical and experimental results has been achieved. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and a wide comparison with related oxides and fluorides. The competition between O2- and F- ions for metal valence electrons has been found.
Смотреть статью, WoS, WOS, Читать в сети ИФ Держатели документа: Russian Acad Sci, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia Russian Acad Sci, Inst Geol & Mineral, Lab Crystal Growth, Siberian Branch, Novosibirsk 630090, Russia Russian Acad Sci, Inst Semicond Phys, Lab Phys Bases Integrated Microelect, Siberian Branch, Novosibirsk 630090, Russia Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, BCCRD, Beijing 100190, Peoples R China Russian Acad Sci, Siberian Branch, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China Доп.точки доступа: Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Kang, L.; Lin, Z. S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yelisseyev, A. P.; Zhurkov, S. A. } Найти похожие
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Synthesis, structural, magnetic, and electronic properties of cubic CsMnMoO3F3 oxyfluoride / V. V. Atuchin [et al.]> // J. Phys. Chem. C. - 2012. - Vol. 116, Is. 18. - P. 10162-10170, DOI 10.1021/jp302020f. - Cited References: 64. - We thank Dr. A.M. Ziatdinov for the electron paramagnetic resonance measurements. This study was partly supported by SB RAS (Grant 28).
. - ISSN 1932-7447РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary Рубрики: RAY PHOTOELECTRON-SPECTROSCOPY PHASE-TRANSITIONS CORE LEVELS SURFACE CHARACTERIZATION CRYSTAL-STRUCTURE CLEAVED SURFACE MIXED-VALENCE OXIDES MN MOLYBDENUM Chemical bondings Cubic phase Energy differences Heat capacity measurements Oxyfluorides Powder samples Solid-state synthesis Space Groups Temperature range Valence electron Binding energy Chemical bonds Electronic structure Fluorine compounds Magnetic properties Metal ions Photoelectrons Rietveld method X ray photoelectron spectroscopy Electronic properties Аннотация: A powder sample of CsMnMoO3F3 oxyfluoride has been prepared by solid state synthesis. The pyrochlore-related crystal structure of CsMnMoO3F3 has been refined by the Rietveld method at T = 298 K (space group Fd-3m, a = 10.59141(4) angstrom, V = 1188.123(8) angstrom(3); R-B = 3.44%). The stability of the cubic phase has been obtained over the temperature range T = 110-293 K by heat capacity measurements. Magnetic properties have been measured over the range of T = 2-300 K. The electronic structure of CsMnMoO3F3 has been evaluated by X-ray photoelectron spectroscopy. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and wide comparison with related oxides and fluorides. The competition between O-2(-) and F- ions for metal valence electrons has been found.
Смотреть статью, Scopus, WoS, Читать в сети ИФ Держатели документа: Atuchin, Victor V. Gavrilova, Tatyana A. Kesler, Valery G.] SB RAS, Inst Semicond Phys, Novosibirsk 630090, Russia Molokeev, Maxim S. Yurkin, Gleb Yu. Flerov, Igor N. Patrin, Gennadii S.] SB RAS, Inst Phys, Krasnoyarsk 660036, Russia Laptash, Natalia M.] FEB RAS, Inst Chem, Vladivostok 690022, Russia Flerov, Igor N. Patrin, Gennadii S.] Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660074, Russia Доп.точки доступа: Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yurkin, G. Yu.; Юркин, Глеб Юрьевич; Gavrilova, T. A.; Kesler, V. G.; Laptash, N. M.; Flerov, I. N.; Флёров, Игорь Николаевич; Patrin, G. S.; Патрин, Геннадий Семёнович } Найти похожие
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Anomalous in-plane electronic scattering in charge ordered Na 0.41CoO 2•0.6H 2O / G. X. Cao [et al.]> // Phys. Rev. Lett. - 2012. - Vol. 108, Is. 23. - Ст. 236401, DOI 10.1103/PhysRevLett.108.236401. - Cited References: 41. - We thank H. Habermeier, D. Mandrus, B. C. Sales, I. Eremin, I. I. Mazin, and P. J. Hirschfeld for useful discussions. G. Cao acknowledges support from NSFC (No. 10804068, 10774097). M. M. K. acknowledges support from RFBR (Grant No. 09-02-00127), Presisium of RAS program "Quantum physics of condensed matter" N5.7, Integration Grant of SBRAS-UrBRAS N40, and Russian FCP (GK 16.740.12.0731), and The Dynasty Foundation and ICFPM. Work at ORNL was supported by the Department of Energy, BES, Materials Science and Engineering Division.
. - ISSN 0031-9007РУБ Physics, Multidisciplinary Рубрики: SUPERCONDUCTIVITY TRIPLET FLUCTUATIONS IONS Аннотация: We report electronic transport measurements on high quality floating zone grown NaxCoO2 and Na0.41CoO2·0.6H2O single crystals. We find an in-plane electronic scattering minimum near 11 K and a clear charge ordering at approximately 50 K. The electronic and magnetic properties in hydrated and nonhydrated Na0.41CoO2 samples are similar at higher temperature, but evolve in markedly different ways below ∼50 K, where a strong ferromagnetic tendency is observed in the hydrated sample. Model calculations show the relationship of this tendency to the structure of the Fermi surface. The results, particularly the clear differences between the hydrated and nonhydrated material show a substantially enhanced ferromagnetic tendency upon hydration. Implications for superconductivity are discussed.
Смотреть статью, Scopus, WoS, Читать в сети ИФ Держатели документа: [Cao, Guixin Gao, Yuze Le Tacon, Mathieu Lin, Chengtian] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany [Cao, Guixin] Shanghai Univ, Dept Phys, Shanghai 200444, Peoples R China [Cao, Guixin] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA [Korshunov, Maxim M.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA [Korshunov, Maxim M.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia [Korshunov, Maxim M.] Siberian Fed Univ, Krasnoyarsk 660041, Russia [Singh, David J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA Доп.точки доступа: Cao, G. X.; Korshunov, M. M.; Коршунов, Максим Михайлович; Gao, Y. Z.; Le Tacon, M.; Singh, D. J.; Lin, C. T. } Найти похожие
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Magnetic mechanisms of pairing in strongly correlated electron system of copper oxides / S. G. Ovchinnikov, I. A. Makarov, E. I. Shneyder [et al.] ; ed. C. B. Taylor> // Recent advances in superconductivity research. - New York : Nova Science Publishers, 2013. - Chapter 6. - P. 93-143
. - ISBN 978-1-62618-406-0 Перевод заглавия: Магнитные механизмы спаривания в сильно коррелированной системе оксидов меди Кл.слова (ненормированные): strong electronic correlations -- magnetic mechanism of pairing -- quantum phase transitions -- electronic structure -- Hubbard operators -- cuprates Аннотация: The multielectron LDA+GTB approach has been developed to calculate electronic structure of strongly correlated cuprates. At low energies the effective Hamiltonian of the t- t’- t”- t﬩-J*-J﬩ -model has been derived with parameters coming from the ab initio calculation for LSCO. The electronic structure of LSCO has been calculated self-consistently with the short-range antiferromagnetic order for various doping level. Two Lifshitz-type quantum phase transitions with Fermi surface topology changes have been found at dopings x(c1) = 0.15 and x(c2) = 0.24. Its effect on normal and superconducting properties has been calculated. The interatomic ex change parameter and its pressure dependence has been calculated within LDA+GTB scheme. The magnetic mechanisms of d-wave pairing induced by static and dynamical spin correlations are discussed. Simultaneous treatment of magnetic and phonon pairing results in the conclusion that both contributions are of the same order. For two layer cuprates like YBCO the interlayer hopping and exchange effects on the electronic structure and doping dependence of Tc is discussed as well as the Coulomb interaction induced mechanism of pairing.
Доп.точки доступа: Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Makarov, I. A.; Макаров, Илья Анатольевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Togushova, Yu. N.; Тогушова Ю. Н.; Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Taylor, C. B. \ed.\ } Найти похожие
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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) } Найти похожие
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Magnetic, electronic and structural properties of mott insulators close to spin crossover / S. G. Ovchinnikov [и др.]> // V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism : abstracts. - Vladivostok : FEFU, 2013. - P28
. - ISBN 978-5-7444-3124-2
Доп.точки доступа: Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Orlov, Yu.S. ; Орлов, Юрий Сергеевич; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Fedorov, A. A.; Фёдоров, А. А.; Kazak, N. V.; Казак, Наталья Валерьевна; Voronov, V. N.; Воронов, Владимир Николаевич; Solovyev, L. A.; Соловьев, Леонид Александрович; Anshits, A. G.; Аншиц, Александр Георгиевич; Vereschagin, S. N.; Верещагин, С. Н.; Shishkina, N. N.; Шишкина, Нина Николаевна; Petrov, N. S.; Петров, Н. С.; Babkin, R. Yu.; Бабкин, Р. Ю.; Lamanova, K. L.; Ламанова, К. Л.; Pashkevich, Yu. G.; Пашкевич, Ю. Г.; Kuzubov, A. A.; Кузубов, Александр Александрович; Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism(5 ; 2013 ; Sept. ; 15-21 ; Vladivostok) } Найти похожие
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Preparation, structural and electronic properties of nonlinear optical borates K2(1-x)Rb2xAl2B2O7 / V. Atuchin [et al.]> // Abstract of the 2th Int. Symp. on Laser Interaction with Matter. - 2012. - P. 184
Доп.точки доступа: Atuchin, V. V.; Атучин, Виктор Валерьевич; Grossman, V. G.; Гроссман В.Г.; Lin, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, B. G.; Базаров Б.Г.; Bazarova, Zh.G.; Базарова Ж.Г.; International Symposium on Laser Interaction with Matter (LIMIS 2014) (2 ; 2012; сент. ; 9-12 ; Xi`an, China) } Найти похожие
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Synthesis and electronic structure of orthorhombic molybdate RbNd(MoO4)2 / V. V. Atuchin [et al.]> // The 3rd Int. Conf. on the Physics of Optical Materials and Devices. ICOM 2012 : book of abstracts. - 2012. - P. 209
Материалы конференции, Материалы конференции Доп.точки доступа: Atuchin, V. V.; Bazarov, B. G.; Базаров, Б.Г.; Chimitova, O. D.; Bekenev, V. L.; Khyzhun, O. Yu.; Bazarova, Zh. G.; Базарова, Ж. Г.; Vinča Institute of Nuclear Sciences,; University of Belgrade; Laboratoire de Chimie de la Matière Condensée de Paris; International Conference on the Physics of Optical Materials and Devices(3 ; 2012 ; Sept. ; 3-6 ; Belgrade, Serbia) } Найти похожие
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Solid state synthesis, spectroscopic and electronic properties of RbNd(MoO4)2 / O. D. Chimitova [et al.]> // XVI Международная конференция "Опто-, наноэлектроника, нанотехнологии и микросистемы" : Труды. - Ульяновск, 2012. - P. 116
Доп.точки доступа: Chimitova, O. D.; Khyzhun, O.Yu.; Bekenev, V. L.; Atuchin, V. V.; Атучин, Виктор Валерьевич; Gavrilova, T. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Surovtsev, N. V.; Bazarov, B. G.; Базаров Б.Г.; Bazarova, Zh.G.; Базарова Ж.Г.; Институт нанотехнологий микроэлектроники РАН; Ульяновский государственный университет; Российский фонд фундаментальных исследований; Академия наук Татарстана; "Opto-, nanoelectronics, nanotechnology, and microsystems", International Conference (2012 ; sept. ; 4-7 ; Ulyanovsk, Russia); "Опто-, наноэлектроника, нанотехнологии и микросистемы", международная конференция (2013 ; июль.; 26-30 ; Ульяновск) } Найти похожие
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Electronic structure and nonlinear optical properties of monoclinic G2-K3WO3F3 / B. I. Kidyarov [et al.]> // The 7th International Seminar on Ferroelastic Physics : abstract book. - Voronezh, 2012. - P. 65
Программа семинара, Материалы конференции Доп.точки доступа: Kidyarov, B. I.; Atuchin, V. V.; Атучин, Виктор Валерьевич; Isaenko, L. I.; Kesler, V. G.; Lin, Z. S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yelisseyev, A. P.; Zhurkov, S. A.; Воронежский государственный технический университет; Российская академия наук; Международный семинар по физике сегнетоэластиков (7(12) ; 2012 ; сент. ; 10-13 ; Воронеж); International Seminar on ferroelastic physics (7 ; 2012 ; Sept. 10-13 ; Voronezh) } Найти похожие
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Preparation, spectroscopic and electronic properties of microcrystalline dimolybdate RbNd(MoO4)2 / N. V. Shlegel [et al.]> // Тезисы Конференции стран СНГ по росту кристаллов. - 2012. - P. 236
Аннотация: Preparation, spectroscopic and electronic properties of microcrystalline dimolybdate RbNd(MoO4)2 [et al.]
Доп.точки доступа: Shlegel, N. V.; Chimitova, O. D.; Khuzhum, O.Yu; Atuchin, V. V.; Атучин, Виктор Валерьевич; Gavrilova, T. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, B. G.; Базаров Б.Г.; Bazarova, Zh.G.; Базарова Ж.Г.; Институт монокристаллов Национальной академии Украины; Институт кристаллографии им. А.В. Шубникова РАН; Национальный исследовательский центр "Курчатовский институт"; Национальный исследовательский технологический университет "МИСИС"; Государственный научно-исследовательский и проектный институт редкометаллической промышленности; Украинская ассоциация по росту кристаллов; Национальный комитет кристаллографов России; Конференция стран СНГ по росту кристаллов (1-5 октября 2012 ; Харьков, Украина) } Найти похожие
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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.
Scopus, Смотреть статью, WOS, Читать в сети ИФ 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 } Найти похожие
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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.
Материалы конференции 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) } Найти похожие
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Spin-orbit coupling in Fe-based superconductors / M. M. Korshunov [et al.]> // V. V. Nemoshkalenko Memor. Conf. and Workshop "Electronic Struct. and Electron Spectrosc." (ES&ES 2013). - 2013. - P. 13
Материалы конференции Доп.точки доступа: Korshunov, M. M.; Коршунов, Максим Михайлович; Togushova, Yu.N.; Тогушова Ю.Н.; Eremin, I.; Hirschfeld, P. J.; 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) } Найти похожие
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