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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 1948-7185

РУБ 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.

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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.
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Extremely large magnetoresistance induced by optical irradiation in the Fe/SiO2/p-Si hybrid structure with Schottky barrier / N. V. Volkov [et al.] // J. Appl. Phys. - 2013. - Vol. 114, Is. 9. - Ст. 093903. - P. , DOI 10.1063/1.4819975. - Cited References: 31. - This study was supported by the Russian Foundation for Basic Research, Project No. 11-02-00367-a; Presidium of the Russian Academy of Sciences, program Quantum Mesoscopic and Disordered Structures, Project No. 20.8; the Division of Physical Sciences of the Russian Academy of Sciences, program Spin Phenomena in Solids Nanostructures and Spintronics, Project No. II.4.3; the Siberian Branch of the Russian Academy of Sciences, integration projects nos. 43, 85 and 102; Project of the Russian Ministry of Education and Science N 02.G25.31.0043. . - ISSN 0021-8979

РУБ Physics, Applied
Рубрики:
SPIN POLARIZATION
SPINTRONICS
SILICON
Аннотация: We report giant magnetoresistance (MR) effect that appears under the influence of optical radiation in common planar device built on Fe/SiO2/p-Si hybrid structure. Our device is made of two Schottky diodes connected to each other by the silicon substrate. Photo-induced MR is positive and the MR ratio reaches the values in excess of 10(4)%. The main peculiarity of the MR behavior is its strong dependence on the magnitude and the sign of the bias current across the device and, most surprisingly, upon polarity of the magnetic field. To explain such unexpected behavior of the MR, one needs to take into account contribution of several physical mechanisms. The main contribution comes from the existence of localized interface states at the SiO2/p-Si interface, which provide the spots for the photo-current conduction by virtue of the sequential tunneling through them or thermal generation and optical excitation of mobile charges. External magnetic field changes the probability of these processes due to its effect on the energy states of the conduction centers. Two possible mechanisms that may be responsible for the observed dependence of magneto-resistance on the field polarity are discussed: the effect of the Lorentz force on moving carriers and spin splitting of electrons moving in the electrostatic potential gradient (Rashba effect). The most significant observation, in our opinion, is that the observed MR effect is seen exclusively in the subsystem of minority carriers transferred into non-equilibrium state by optical excitation. We suggest that building such magneto-sensitive devices based on this mechanism may set a stage for new types of spintronic devices to emerge. (C) 2013 AIP Publishing LLC.

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Держатели документа:
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian State Aerosp Univ, Inst Space Technol, Krasnoyarsk 660014, Russia

Доп.точки доступа:
Volkov, N. V.; Волков, Никита Валентинович; Tarasov, A. S.; Тарасов, Антон Сергеевич; Eremin, E. V.; Еремин, Евгений Владимирович; Baron, F. A.; Барон, Филипп Алексеевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Russian Foundation for Basic Research [11-02-00367-a]; Presidium of the Russian Academy of Sciences, program Quantum Mesoscopic and Disordered Structures [20.8]; Division of Physical Sciences of the Russian Academy of Sciences, program Spin Phenomena in Solids Nanostructures and Spintronics [II.4.3]; Siberian Branch of the Russian Academy of Sciences [43, 85, 102]; Russian Ministry of Education and Science [N 02.G25.31.0043]
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    Long-range chemical interactions in solid-state reactions: Effect of an inert Ag interlayer on the formation of L10-FePd in Epitaxial Pd(001)/Ag(001)/Fe(001) and Fe(001)/Ag(001)/Pd(001) trilayers [Текст] / V. G. Myagkov [и др.] // International Symposium on the Reactivity of Solids. [[b]]ISRS-18[[/b]], 9—13 June 2014, Saint Petersburg, Russia : Book of Abstracts. - 2014. - P133 . - ISBN 978-5-9651-0838-1
   Перевод заглавия: Дальнодействующие химические взаимодействия в твердофазных реакциях: влияние инертного Ag слоя на формирование L10-FePd в эпитаксиальных Pd(001)/Ag(001)/Fe(001) и Fe(001)/Ag(001)/Pd(001) трехлойных пленках.
Аннотация: Diffusion is one of the unique phenomena that control major natural processes. It is a basic contributor to chemical reactions and structural transformations in solids.[1,2] Solid-state reactions, including those occurring in thin films and multilayers, comprise three successive stages: (1) breakage of reagent chemical bonds, (2) diffusion transfer of reagent atoms via a reaction product, and (3) rearrangement and formation of new bonds. The reaction rate is determined by step 2, which is the primary stage. Traditionally, solid-state diffusion of reacting atoms via a layer of a reaction product is considered to occur through an atomic exchange with nearest neighbors that leads to their random walk over a crystal lattice. The mean distance d that an atom moves over time t equals the mean-square atomic displacement 〈∆x2〉 and satisfies the Einstein equation d = 〈∆x2〉 = 2Dt. In numerous studies on solid-state reactions in thin films and multilayers, the parabolic growth of the reaction layer thickness d which satisfies the Einstein equation is presented as experimental proof of the diffusive nature of the reaction.

Book of Abstracts

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Bykova, L. E.; Быкова, Людмила Евгеньевна; Zhigalov, V. S.; Жигалов, Виктор Степанович; Bon, G. N.; Бондаренко, Галина Николаевна; International Symposium on the Reactivity of Solids (18 ; 2014 ; Saint Petersburg)
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    Electronic structure of β-RbNd(MoO4)2 by XPS and XES / V. V. Atuchin [et al.] // J. Phys. Chem. Solids. - 2015. - Vol. 77. - P. 101-108, DOI 10.1016/j.jpcs.2014.09.012. - Cited References: 52. - This study was partially supported by the Ministry of Education and Science of the Russian Federation and RFBR Grant 12-02-90806-mol_rf_nr. . - ISSN 0022-3697
   Перевод заглавия: Электронная структура b-RbNd(MoO4)2, исследованная при помощи РФЭС и РСМА

РУБ Chemistry, Multidisciplinary + Physics, Condensed Matter
Рубрики:
RAY-EMISSION-SPECTROSCOPY
   CRYSTAL-STRUCTURE
   PHOTOELECTRON-SPECTROSCOPY
   LUMINESCENCE PROPERTIES
   VIBRATIONAL PROPERTIES
   PHOTOEMISSION SPECTRA
   OPTICAL-PROPERTIES
   TERNARY MOLYBDATE
   AB-INITIO
   SYSTEM
Кл.слова (ненормированные):
Inorganic compounds -- Chemical synthesis -- Photoelectron spectroscopy -- X-ray diffraction -- Electronic structure
Аннотация: β-RbNd(MoO4)2 microplates have been prepared by the multistage solid state synthesis method. The phase composition and micromorphology of the final product have been evaluated by XRD and SEM methods. The electronic structure of β-RbNd(MoO4)2 molybdate has been studied employing the X-ray photoelectron spectroscopy (XPS) and X-ray emission spectroscopy (XES). For the molybdate, the XPS core-level and valence-band spectra, as well as XES bands representing energy distribution of the Mo 4d- and O 2p-like states, have been measured. It has been established that the O 2p-like states contribute mainly to the upper portion of the valence band with also significant contributions throughout the whole valence-band region. The Mo 4d-like states contribute mainly to a lower valence band portion

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Держатели документа:
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia
Natl Acad Sci Ukraine, Frantsevich Inst Problems Mat Sci, UA-03142 Kiev, Ukraine
SB RAS, Baikal Inst Nat Management, Lab Oxide Syst, Ulan Ude 670047, Russia
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Semicond Phys, Lab Nanodiagnost & Nanolithog, Novosibirsk 630090, Russia

Доп.точки доступа:
Atuchin, V. V.; Khyzhun, O. Y.; Chimitova, O. D.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Gavrilova, T. A.; Bazarov, B. G.; Bazarova, J. G.; Ministry of Education and Science of the Russian Federation; RFBR [12-02-90806-mol_rf_nr]
}
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Kveglis, L. I.
The self-organization of tetrahedrally close-packed structures in magnetic nanocrystalline Tb-Fe and Co-Pd films / L. I. Kveglis, A. V. Kuzovnikov, I. V. Timofeev ; ed.: BM Darinskii, , BM Darinsk // Mechanical spectroscopy III: Mechanical spectroscopy and relaxation phenomena IN SOLIDS. Ser. Solid state phenomena : Trans tech publications LTD, 2006. - Vol. 115. - P. 267-273. - Cited References: 19 . - ISBN 1012-0394. - ISBN 3-908451-24-8

РУБ Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter + Spectroscopy
Рубрики:
AMORPHOUS FILMS
Кл.слова (ненормированные):
dissipative structures -- explosive crystallization -- thermal conductivity -- Tb-Fe films -- Co-Pd films
Аннотация: The self-organization of an atomic structure in Tb30Fe70 and Co50Pd50 films possessing of high values of the perpendicular magnetic anisotropy (PMA) constant (K perpendicular to similar to 10(6) erg/cm(3)) is investigated by transmission electron microscopy. The crystallization of the films is realized in an explosive way with formation of different dissipative structures from the initial nanocrystalline state. In present work the structural model of a thin film in mezzo-scale and the correlation of a structure with magnetic properties are discussed.

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Доп.точки доступа:
Kuzovnikov, A. V.; Timofeev, I. V.; Тимофеев, Иван Владимирович; Darinskii, B. M. \ed.\; International Conference on Mechanical Spectroscopy and Relaxation Phenomena in Solids (3 ; 2006 ; Cracow, Poland)
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Lundin, A. A.
Order dependence of the profile of the intensities of multiple-quantum coherences / A. A. Lundin, V. E. Zobov // J. Exp. Theor. Phys. - 2015. - Vol. 120, Is. 5. - P. 762-771, DOI 10.1134/S1063776115040093. - Cited References:62 . - ISSN 1063. - ISSN 1090-6509. -

РУБ Physics, Multidisciplinary
Рубрики:
PARAMAGNETIC SPIN SYSTEMS
   FREE-INDUCTION DECAY
   NMR-SPECTRA
   AUTOCORRELATION FUNCTIONS
   FLUCTUATION SPECTRUM
   TEMPERATURE DYNAMICS
   LINE-SHAPE
   SOLIDS
   IRREVERSIBILITY
   BEHAVIOR
Аннотация: A modification of the widespread phenomenological model theory of multiple-quantum (MQ) nuclear magnetic resonance spectra of a single cluster of correlated spins has been developed. In contrast to the mentioned theory, the size distribution of such clusters has been consistently taken into account. To obtain the distribution, solutions for the amplitudes of the expansion in the complete set of orthogonal operators are used. Expressions specifying the dependence of the profile of the intensities of MQ coherences on their number n (order) have been obtained. The total form of the dependence has been evaluated by means of the numerical implementation of the resulting expressions. The asymptotic expressions for large n values (wings of the spectrum) have been obtained analytically by the saddle-point method. It has been shown that the dependence under study has a Gaussian central part and exponential wings. The results obtained are in agreement with the previous calculations for some model systems and existing experimental data.

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Публикация на русском языке Лундин, Андрей Арнольдович. Зависимость профиля интенсивностей многоквантовых когерентностей от порядков [Текст] / А. А. Лундин, В. Е. Зобов // Журн. эксперим. и теор. физ. : Наука, 2015. - Т. 147 Вып. 5. - С. 885-895

Держатели документа:
Russian Acad Sci, Semenov Inst Chem Phys, Moscow 117977, Russia.
Russian Acad Sci, Akademgorodok, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Zobov, V. E.; Зобов, Владимир Евгеньевич
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    Mironov, V. L.
    Temperature dependent dielectric model at 1.4 GHz for an agricultural soil thawed and frozen / V. L. Mironov, A. Yu. Karavaysky // Int. Sib. Conf. on Control and Communicat. (SIBCON 2015) : Proceedings : IEEE-Institute Electrical and Electronics Engineers, 2015. - P. 1-4, DOI 10.1109/SIBCON.2015.7147092. - Cited References:9
   Перевод заглавия: Температурно зависимая диэлектрическая модель на частоте 1,4 ГГц для талой и мерзлой сельскохозяйственной почвы
Кл.слова (ненормированные):
agricultural soil -- dielectric model -- moisture -- remote sensing -- temperature -- thawed and frozen soil -- Agriculture -- Frozen soils -- Mixing -- Moisture -- Refractive index -- Remote sensing -- Soil moisture -- Soils -- Temperature -- Thawing -- Agricultural soils -- Complex refractive index -- Dielectric measurements -- Dielectric modeling -- Measurements of -- Mixing models -- Soil solids -- Temperature dependent -- Soil surveys
Аннотация: A mono-frequency dielectric model for the agricultural soil both thawed and frozen has been developed. The model is based on the soil dielectric measurements carried out in the ranges of volumetric moisture from 0,03 to 0,51 cm3/ cm3, dry soil density from 1.12 to 1.64 g/cm3, and temperature from -30 to 25°C (heating run), at the frequency of 1.4 GHz used in the SMOS mission. To fit the results of measurements of the soil complex refractive index (CRI) as a function of soil moisture, the refractive mixing model was applied. As a result, the parameters of the refractive mixing model linked to soil solids, as well as the bound, transient, and free soil water components were derived as a function of temperature. The error of the proposed dielectric model was shown to be in the order of the dielectric measurement error itself. © 2015 IEEE.

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Доп.точки доступа:
Karavaisky, A. Yu.; Каравайский, Андрей Юрьевич; Миронов, Валерий Леонидович; International Siberian Conference on Control and Communications(11 ; 2015 ; May 21-23 ; Omsk)
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    Doping dependent band structure and pairing in strongly correlated electron systems of high-Tc cuprates / S. G. Ovchinnikov [и др.] // V International symposium on strong nonlinear vibronic and electronic interactions in solids : program, book of abstracts . - 2015. - Ст. O18. - P. 28. - Библиогр.: 1 назв.
   Перевод заглавия: Зависящие от допирования зонная структура и спаривание в системах с сильными электронными корреляциями ВТСП купратов

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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Korshunov, M. M.; Коршунов, Максим Михайлович; Makarov, I. A.; Макаров, Илья Анатольевич; International symposium on strong nonlinear vibronic and electronic interactions in solids(5 ; 2015 ; May ; 1-3 ; Tartu)
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    Polaronic effects in the strongly-correlated systems with strong electron-phonon interaction / I. A. Makarov [и др.] // V International symposium on strong nonlinear vibronic and electronic interactions in solids : program, book of abstracts . - 2015. - Ст. O18. - P. 28. - This work is supported by the Russian scientific foundation, the grant 14-02-00061
   Перевод заглавия: Поляронные эффекты в системах с сильными электронными корреляциями и сильным электрон-фононным взаимодействием

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Доп.точки доступа:
Makarov, I. A.; Макаров, Илья Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Kozlov, P. A.; Козлов, Пётр Александрович; International symposium on strong nonlinear vibronic and electronic interactions in solids(5 ; 2015 ; may ; 1-3 ; Tartu)
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10.

Nikolaev, S. V.
Electronic structure of the Hubbard and t-J models within the cluster perturbation theory in the X-operators representa / S. V. Nikolaev, V. I. Kuz’min, S. G. Ovchinnikov // V Int. symp. on strong nonlinear vibronic and electronic int. in solids : program, book of abstracts. - 2015. - Ст. O20. - P30. - Библиогр.: 2 назв.

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Доп.точки доступа:
Kuz’min, V. I.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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