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538.915
Т 33


    Теоретическое исследование влияния деформации на электронную структуру монослоя гексагонального нитрида бора / М . В. Сержантова, А. А. Кузубов, А. С. Федоров [и др.] // Вестник Сибирского государственного аэрокосмического университета им. академика М.Ф. Решетнева. - 2011. - № 3. - С. 150-155 . - ISSN 1816-9724
   Перевод заглавия: Theoretical study of the influence of deformation on the electronic structure of a hexagonal boron nitride monolayer

ГРНТИ	29.19
УДК	538.915

Рубрики:

Кл.слова (ненормированные):
адатомы -- adatoms -- hexagonal boron nitride monolayer (h-bn) -- density functional theory (dft) -- electronic structure -- vacancies -- монослой гексагонального нитрида бора (h-bn) -- теория функционала плотности (dft) -- электронная структура -- вакансии
Аннотация: Работа посвящена исследованию влияния деформации на электронную структуру и свойства монослоя гексагонального нитрида бора, а также изучению поведения адатомов бора и азота на поверхности монослоя.
Work is devoted research of influence of deformation on electronic structure and properties of a monolayer hexagonal boron nitride, and also to behavior studying adatoms of boron and nitrogen on a monolayer surface.

РИНЦ
Держатели документа:
Институт физики имени Л. В. Киренского Сибирского отделения Российской академии наук
Институт цветных металлов и материаловедения Сибирского федерального университета
Сибирский государственный технологический университет

Доп.точки доступа:
Сержантова, Мария Викторовна; Serzhantova M.V.; Кузубов, Александр Александрович; Kuzubov, A. A.; Федоров, Александр Семенович; Fedorov, A. S.; Томилин, Феликс Николаевич; Tomilin, F. N.; Краснов, Павел Олегович; Krasnov P. O.
}
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Two-dimensional hexagonal CrN with promising magnetic and optical properties: A theoretical prediction / A. V. Kuklin [et al.] // Nanoscale. - 2017. - Vol. 9, Is. 2. - P. 621-630, DOI 10.1039/c6nr07790k. - Cited References: 76. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Institute of Computational Modeling of SB RAS, Krasnoyarsk; the Joint Supercomputer Center of RAS, Moscow; and the ICC of Novosibirsk State University for providing the computing resources. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K). P. V. A. acknowledges the Kyungpook National University Research Fund, 2014. N. S. M. acknowledges the Russian Foundation for Basic Research (RFBR 16-32-60003 mol_a_dk). . - ISSN 2040-3364
Кл.слова (ненормированные):
Boron nitride -- Calculations -- Energy gap -- Ferromagnetic materials -- Ferromagnetism -- Graphene -- Magnetism -- Metals -- Transition metals -- Transparency -- Dielectric functions -- Ferromagnetic orderings -- First-principles calculation -- Half-metallic properties -- Magnetic and optical properties -- Optical transparency -- Spintronics application -- Transition metal dichalcogenides -- Optical properties
Аннотация: Half-metallic ferromagnetic materials with planar forms are promising for spintronics applications. A wide range of 2D lattices like graphene, h-BN, transition metal dichalcogenides, etc. are non-magnetic or weakly magnetic. Using first principles calculations, the existence of graphene-like hexagonal chromium nitride (h-CrN) with an almost flat atomically thin structure is predicted. We find that freestanding h-CrN has a 100% spin-polarized half-metallic nature with possible ferromagnetic ordering and a high rate of optical transparency. As a possible method for stabilization and synthesis, deposition of h-CrN on 2D MoSe2 or on MoS2 is proposed. The formation of composites retains the half-metallic properties and leads to the reduction of spin-down band gaps to 1.43 and 1.71 eV for energetically favorable h-CrN/MoSe2 and h-CrN/MoS2 configurations, respectively. Calculation of the dielectric functions of h-CrN, h-CrN/MoSe2 and h-CrN/MoS2 exhibit the high transparency of all three low-dimensional nanomaterials. The honeycomb CrN may be considered as a promising fundamental 2D material for a variety of potential applications of critical importance. © The Royal Society of Chemistry 2017.

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Держатели документа:
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
Department of Chemistry, Kyungpook National University, 80 Daehakro Bukgu, Daegu, South Korea
L.V. Kirensky Institute of Physics, 50/38 Akademgorodok, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Kuklin, A. V.; Куклин, Артем Валентинович; Kuzubov, A. A.; Кузубов, Александр Александрович; Kovaleva, E. A.; Mikhaleva, N. S.; Tomilin, F. N.; Томилин, Феликс Николаевич; Lee, H.; Avramov, P. V.
}
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Theoretical Study of Vacancies and Adatoms in White Graphene / A. A. Kuzubov [et al.] // JETP Letters. - 2011. - Vol. 93, Is. 6. - P. 335-338, DOI 10.1134/S0021364011060051. - Cited References: 35 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
HEXAGONAL BORON-NITRIDE
   INITIO MOLECULAR-DYNAMICS
   BRILLOUIN LIGHT-SCATTERING
   BN NANOTUBES
   AB-INITIO
   ELASTIC PROPERTIES
   MONOLAYER
   GRAPHITE
   COMPRESSION
   TRANSITION
Аннотация: The stability of the B and N atomic vacancies and divacancies in an h-BN monolayer deformed by 2 and 4% along one of the axes has been investigated. It has been established that the N atomic vacancies are most stable; their concentration is insignificant and does not affect the properties of white graphene. The number of vacancies depends on the mobility of N and B atoms on the layer surface; therefore, the probability of recombination with the vacancies has been estimated. It has been revealed that the energy barrier for the migration of the B and N adatoms is about 0.23 and 1.23 eV, respectively. In view of such a low barrier for the B adatom, this type of adatoms will quite rapidly move over the surface and recombine with vacancies, in contrast to the N adatoms. Therefore, only nitrogen atom vacancies can exist in the h-BN monolayer grown by the methods, where the adatoms could possibly appear on the surface.

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Держатели документа:
[Kuzubov, A. A.
Serzhantova, M. V.
Kozhevnikova, T. A.] Siberian Fed Univ, Krasnoyarsk 660028, Russia
[Kuzubov, A. A.
Kozhevnikova, T. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Kuzubov, A. A.
Fedorov, A. S.
Tomilin, F. N.
Kozhevnikova, T. A.] Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
[Serzhantova, M. V.] Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
ИФ СО РАН
Siberian Federal University, Krasnoyarsk 660028, Russian Federation
Siberian State Technological University, Krasnoyarsk 660049, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Siberian State Aerospace University, Krasnoyarsk 660014, Russian Federation

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Serzhantova, M. V.; Fedorov, A. S.; Федоров, Александр Семенович; Tomilin, F. N.; Томилин, Феликс Николаевич; Kozhevnikova, T. A.
}
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Theoretical study of the influence of vacancies on the electronic structure of a hexagonal boron nitride monolayer / M. V. Serzhantova [et al.] // J. Exp. Theor. Phys. - 2011. - Vol. 112, Is. 4. - P. 664-667, DOI 10.1134/S1063776111030150. - Cited References: 19 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
INITIO MOLECULAR-DYNAMICS
   TRANSITION
   ALGORITHM
   METALS
   ENERGY
Кл.слова (ненормированные):
Defect type -- Divacancies -- Forbidden band -- Hexagonal boron nitride -- Inhomogeneous distribution -- Nitrogen vacancies -- Spin densities -- Theoretical study -- Vacant levels -- Boron nitride -- Defects -- Deformation -- Density functional theory -- Electronic properties -- Electronic structure -- Magnetic moments -- Monolayers -- Nitrides -- Boron
Аннотация: The influence of boron and nitrogen vacancies and divacancies on the electronic structure of a hexagonal boron nitride h-BN monolayer is studied. In the presence of vacancies in the structure, the introduced states appear in the forbidden band. The position of an introduced state with respect to the upper occupied level and the lower vacant level depends on deformation. Calculations show that, depending on the defect type and the magnitude of the applied deformation, the introduced state can be both localized and not localized on atoms surrounding the defect. When the state is localized in the system, the inhomogeneous distribution of the spin density is observed, resulting in the appearance of the magnetic moment in the system.

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Держатели документа:
[Serzhantova, M. V.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660023, Russia
[Serzhantova, M. V.] Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
[Kuzubov, A. A.
Krasnov, P. O.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Kuzubov, A. A.
Fedorov, A. S.
Krasnov, P. O.
Tomilin, F. N.] Russian Acad Sci, Siberian Div, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН
Siberian Federal University, Krasnoyarsk 660023, Russian Federation
Siberian State Aerospace University, Krasnoyarsk 660014, Russian Federation
Siberian State Technological University, Krasnoyarsk 660049, Russian Federation
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Serzhantova, M. V.; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович; Krasnov, P. O.; Краснов, Павел Олегович; Tomilin, F. N.; Томилин, Феликс Николаевич
}
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Theoretical investigation of the interfaces and mechanisms of induced spin polarization of 1D narrow zigzag graphene- and h-BN nanoribbons on a SrO-terminated LSMO(001) surface / P. Avramov [et al.] // J. Phys. Chem. A. - 2017. - Vol. 121, Is. 3. - P. 680-689, DOI 10.1021/acs.jpca.6b09696. - Cited References:74. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Joint Supercomputer Center of RAS, Moscow; and the ICC of Novosibirsk State University for providing the computing resources. P.B.S. acknowledges the financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST MISiS (No. K2-2015-033). The Russian Science Foundation (Grant No 14-13-00139) supported the work of the Russian team. The Japanese Science Foundation (JSPS KAKENHI, Grant No 16H3875) supported the work of the Japanese team. . - ISSN 1089-5639

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
HEXAGONAL BORON-NITRIDE
AUGMENTED-WAVE METHOD
GIANT MAGNETORESISTANCE
Аннотация: The structure of the interfaces and the mechanisms of induced spin polarization of 1D infinite and finite narrow graphene- and h-BN zigzag nanoribbons placed on a SrO-terminated La1-xSrxMnO3 (LSMO) (001) surface were studied using density functional theory (DFT) electronic structure calculations. It was found that the pi-conjugated nanofragments are bonded to the LSMO(001) surface by weak disperse interactions. The types of coordination of the fragments, the strength of bonding, and the rate of spin polarization depend upon the nature of the fragments. Infinite and finite graphene narrow zigzag nanoribbons are characterized by the lift of the spin degeneracy and strong spin polarization caused by interface-induced structural asymmetry and oxygen-mediated indirect exchange interactions with Mn ions of LSMO support. Spin polarization changes the semiconducting nature of infinite graphene nanoribbons to half-metallic state with visible spin-up density of states at the Fermi level. The h-BN nanoribbon binding energy is weaker than graphene nanoribbon ones with noticeably shorter interlayer distance. The asymmetry effect and indirect exchange interactions cause spin polarization of h-BN nanoribbon as well with formation of embedded states inside the band gap. The results show a possibility to use one-atom thick nanofragments to design LSMO-based heterostructures for spintronic nanodevices with h-BN as an inert spacer to develop different potential barriers.

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Держатели документа:
Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South Korea.
Kyungpook Natl Univ, Green Nano Mat Res Ctr, 80 Daehak Ro, Daegu 41566, South Korea.
Siberian Fed Univ, 79 Svobodniy Pr, Krasnoyarsk 660041, Russia.
LV Kirensky Inst Phys SB RAS, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.
Natl Inst Quantum & Radiol Sci & Technol QST, Naka, Ibaraki 3191106, Japan.
Natl Univ Sci & Technol MISiS, Moscow 119049, Russia.

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Kuklin, A. V.; Куклин, Артем Валентинович; Lee, H.; Kovaleva, E. A.; Ковалева, Евгения Андреевна; Sakai, S.; Entani, S.; Naramoto, H.; Sorokin, P. B.; Ministry of Education and Science of the Russian Federation [K2-2015-033]; Russian Science Foundation [14-13-00139]; Japanese Science Foundation (JSPS KAKENHI) [16H3875]
}
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The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces / A. V. Kuklin [et al.] // J. Magn. Magn. Mater. - 2017. - Vol. 440: EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA). - P. 23-29, DOI 10.1016/j.jmmm.2016.12.096. - Cited References:70. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Joint Supercomputer Center of RAS, Moscow and the ICC of Novosibirsk State University for providing the computing resources. Russian Science Foundation (Grant No 14-13-00139) supported the work of Russian team. . - ISSN 0304-8853. - ISSN 1873-4766

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
HEXAGONAL BORON-NITRIDE
   THIN-FILMS
   GIANT MAGNETORESISTANCE
   METALLIC
Кл.слова (ненормированные):
Graphene nanoribbons -- DFT -- LSMO thin films -- Induced spin polarization -- h-BN nanoribbons -- Half-metal
Аннотация: Induced spin polarization of π-conjugated carbon and h-BN low dimensional fragments at the interfaces formed by deposition of pentacene molecule and narrow zigzag graphene and h-BN nanoribbons on MnO2-terminated LSMO(001) thin film was studied using GGA PBE+U PAW D3-corrected approach. Induced spin polarization of π-conjugated low-dimensional fragments is caused by direct exchange with Mn ions of LSMO(001) MnO-derived surface. Due to direct exchange, the pentacene molecule changes its diamagnetic narrow-band gap semiconducting nature to the ferromagnetic semiconducting state with 0.15 eV energy shift between spin-up and spin-down valence bands and total magnetic moment of 0.11 μB. Direct exchange converts graphene nanoribbon to 100% spin-polarized half-metal with large amplitude of spin-up electronic density at the Fermi level. The direct exchange narrows the h-BN nanoribbon band gap from 4.04 to 1.72 eV in spin-up channel and converts the h-BN ribbon semiconducting diamagnetic nature to a semiconducting magnetic one. The electronic structure calculations demonstrate a possibility to control the spin properties of low-dimensional π-conjugated carbon and h-BN fragments by direct exchange with MnO-derived LSMO(001) surface for spin-related applications.

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Доп.точки доступа:
Kuklin, A. V.; Kuzubov, A. A.; Кузубов, Александр Александрович; Kovaleva, E. A.; Ковалева, Евгения Андреевна; Lee, Hyosun; Sorokin, Pavel B.; Sakai, Seiji; Entani, Shiro; Naramoto, Hiroshi; Avramov, P. V.; Аврамов, Павел Вениаминович; Russian Science Foundation [14-13-00139]; Euro-Asian Symposium "Trends in MAGnetism"(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); "Trends in MAGnetism", Euro-Asian Symposium(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); Институт физики им. Л.В. Киренского Сибирского отделения РАН
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Synthesis and investigation of boron-doped fullerene and scandium-containing fullerene / G. N. Churilov [et al.] // Tech. Phys. Lett. - 2003. - Vol. 29, Is. 2. - P. 168-170, DOI 10.1134/1.1558758. - Cited References: 7 . - ISSN 1063-7850

РУБ Physics, Applied

Аннотация: We report on the plasmachemical synthesis of fullerene derivatives containing boron and scandium. The synthesis was conducted at atmospheric pressure in a carbon-helium plasma jet generated by an RF arc. (C) 2003 MAIK "Nauka / Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia
Russian Acad Sci, NS Kurnakov Gen & Inorgan Chem Inst, Moscow, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Kurnakov Inst. of Gen./Inorg. Chem., Russian Academy of Sciences, Moscow, Russian Federation

Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич; Alikhanyan, A. S.; Nikitin, M. I.; Glushchenko, G. A.; Глущенко, Гарий Анатольевич; Vnukova, N. G.; Внукова, Наталья Григорьевна; Bulina, N. V.; Булина, Наталья Васильевна; Emelina, A. L.
}
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Spin states of 2D nanocomposites of Ni and V nanoclusters on hexagonal h-BN, BC3 and graphene / P. Avramov [et al.] // J. Mater. Sci. Technol. - 2015. - Vol. 31, Is. 10. - P. 979-985, DOI 10.1016/j.jmst.2015.08.008. - Cited References:21. - The work of Russian team was supported by Russian Scientific Foundation (Grant No. 14-13-00139). P.V.A. acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. . - ISSN 1005-0302

РУБ Materials Science, Multidisciplinary + Metallurgy & Metallurgical
Рубрики:
BORON-NITRIDE
FILMS
Кл.слова (ненормированные):
Electronic structure -- Metal nanostructure -- Nanocomposites -- Graphene -- h-BN -- BC3 -- Spin states
Аннотация: Atomic and electronic structures of adsorbed nickel and vanadium atoms and nanoclusters (Ni-n and V-n, n = 1-10) on hexagonal h-BN and BC3 lattices were studied using DFT PBE/PBC/PW (Perdew-Burke-Ernzerhof potential of density functional theory/periodic boundary conditions/plane wave basis set) technique. For the sake of comparison the structure and properties of the same nanoclusters deposited on pristine graphene were calculated as well. It was found that for all types of supports an increase of n from 1 to 10 leaded to decrease of coordination types from eta(6) to eta(2) and eta(1). The h-BN- and BC3-based nanocomposites were characterized by high (up to 18 mu for Ni10/BC3) magnetic moments of the nanoclusters and featured by positive binding energies. The graphene-based nanocomposites revealed energetic stability and, in general, lower magnetic moments per unit cell. The direct potential energy barriers for migration of Ni eta(2)/eta(2) and eta(6)/eta(6) types of dimers on graphene were low (10.9-28.9 kJ/mol) with high reverse barriers for eta(6)/eta(6) dimers, which favored dynamically equilibrated Ni clusterization on graphene. Copyright (C) 2015, The editorial office of Journal of Materials Science & Technology. Published by Elsevier Limited. All rights reserved.

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Держатели документа:
Kyungpook Natl Univ, Taegu 702701, South Korea.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Academgorodok, Russia.
Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan.

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Sakai, S.; Entani, S.; Naramoto, H.; Eliseeva, N. S.; Елисеева, Наталья Сергеевна; Russian Scientific Foundation [14-13-00139]
}
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Sobol, A. A.
Raman spectroscopy of crystalline, glassy, and molten states of lead diborate / A. A. Sobol, V. E. Shukshin, A. I. Zaitsev // Opt. Spectrosc. - 2016. - Vol. 121, Is. 6. - P. 810-818, DOI 10.1134/S0030400X16120249. - Cited References: 30. - This work was performed with financial support from RFBR, research project no. 13-02-00707. . - ISSN 0030-400X
Кл.слова (ненормированные):
Boron -- Crystalline materials -- Raman scattering -- Single crystals -- Internal vibration -- Molten state -- Oxygen complexes -- Phonon lines -- Polarized Raman spectra -- Glass
Аннотация: Polarized Raman spectra of single crystals of lead diborate, PbB4O7 (PBO), are studied in detail at 300 K. The TO-, LO-, and IO-phonon lines of the A1, A2, B1, and B2 symmetries in the Raman spectra of this compound are assigned. Changes in the Raman spectra of the internal vibrations of boron–oxygen complexes upon transition from the crystalline to the glassy and the molten states of PBO are observed. On the basis of the obtained results, the regularities in the formation of boron–oxygen complexes in glasses, melts, and crystals of the PbO · 2B2O3, SrO · 2B2O3, and Li2O · 2B2O3. diborate compositions are analyzed. © 2016, Pleiades Publishing, Ltd.

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Публикация на русском языке Соболь А. А. Спектроскопия комбинационного рассеяния света в кристаллическом, стеклообразном и расплавленном состояниях дибората свинца [Текст] / А. А. Соболь, В. Е. Шукшин, А. И. Зайцев // Оптика и спектроскопия : Наука, 2016. - Т. 121 № 6. - С. 871–880

Держатели документа:
Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow, Russian Federation
Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shukshin, V. E.; Zaitsev, A. I.; Зайцев, Александр Иванович
}
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10.

Room temperature spin accumulation effect in boron doped Si created by epitaxial Fe3Si/p-Si Schottky contact / A. S. Tarasov [et al.] // J. Surf. Ingestig. - 2018. - Vol. 12, Is. 4. - P. 633-637, DOI 10.1134/S1027451018040171. - Cited References: 33. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project nos. 16-42-243046, 16-42-242036 and 16-42-243060. . - ISSN 1027-4510. - ISSN 1819-7094

РУБ Physics, Condensed Matter
Рубрики:
HYBRID STRUCTURES
   CURRENT-VOLTAGE
   FILMS
   TRANSPORT
   SILICON
Кл.слова (ненормированные):
spintronics -- hybrid structures -- Schottky diode -- Hanle effect -- spin -- accumulation
Аннотация: To study spin-dependent transport phenomena in Fe3Si/p-Si structures we fabricated 3-terminal planar microdevices and metal/semiconductor diode using conventional photolithography and wet chemical etching. IaEuro'V curve of prepared diode demonstrates rectifying behavior, which indicates the presence of Schottky barrier in Fe3Si/p-Si interface. Calculated Schottky barrier height is 0.57 eV, which can provide necessary conditions for spin accumulation in p-Si. Indeed, in 3-terminal planar device with Fe3Si/p-Si Schottky contact Hanle effect was observed. By the analysis of Hanle curves spin lifetime spin diffusion length in p-Si were calculated, which are 145 ps and 405 nm, respectively (at T = 300 K). Spin lifetime strongly depends on temperature which can be related to the fact that spin-dependent transport in our device is realized via the surface states. This gives a perspective of creation of spintronic devices based on metal/semiconductor structure without need for forming tunnel or Schottky tunnel contact.

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Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia.
Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia.

Доп.точки доступа:
Tarasov, A. S.; Тарасов, Антон Сергеевич; Bondarev, I. A.; Бондарев, Илья Александрович; Rautskii, M. V.; Рауцкий, Михаил Владимирович; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Tarasov, I. A.; Тарасов, Иван Анатольевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Volkov, N. V.; Волков, Никита Валентинович; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243046, 16-42-242036, 16-42-243060]
}
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11.

Real composition and structure of manganese ferrite nanoparticles dispersed in the K-Al-B-O glasses / I. G. Vasil'eva [и др.] // Dokl. Akad. Nauk. - 2005. - Vol. 401, Is. 3. - P. 349-352 . - ISSN 0869-5652
Кл.слова (ненормированные):
Aluminum -- Boron compounds -- Ferrite -- Manganese -- Nanostructured materials -- Particles (particulate matter) -- Structure (composition) -- Borate glasses -- Exchange interaction -- Glass
Аннотация: For the first time the problem of determining real composition and structure of manganese ferrite nanoparticles dispersed borate glasses is solved using differentiating dissolution and high-resolution X-ray electron microscopy techniques. For the first time the nanosize effect of aluminum incorporation in manganese ferrite composition is experimentally shown, thus directly confirming the hypothesis of Al participation in exchange interaction between paramagnetic Fe and Mn ions as diamagnetic diluter.

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Публикация на русском языке Реальный состав и структура наночастиц феррита марганца, диспергированных в матрице боратных стекол [Текст] / И. Г. Васильева [и др.] // Доклады Академии наук. - 2005. - Т. 401 № 3. - С. 349-352

Держатели документа:
Inst. Neorganicheskoj Khimii SO RAN, Novosibirsk, Russian Federation

Доп.точки доступа:
Vasil'eva, I. G.; Dovlitova, L. S.; Zajkovskij, V. I.; Malakhov, V. V.; Edel'man, I. S.; Эдельман, Ирина Самсоновна; Stepanov, A. S.; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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12.

    Pressure-Induced Structural Transition to the Polar Phase in GdFe3(BO3)4 / I. S. Lyubutin [et al.] // Cryst. Growth Des. - 2019. - Vol. 19, Is. 12. - P. 6935-6944, DOI 10.1021/acs.cgd.9b00609. - Cited References: 39. - The authors express their deep gratitude to Prof. S. G. Ovchinnikov for initiating this work and fruitful discussions. These studies were performed with the support of the Ministry of Science and Higher Education within the State assignment FSRC "Crystallography and Photonics" RAS in part for the synchrotron Mössbauer measurements. Support from RFBR Grant No. 17-02-00766 in part for the Raman spectroscopy measurements and from No. 18-02-00696 in part for the theoretical calculations is also acknowledged. For preparation and tests of high-pressure cells, (39) the facilities of Center for Collective Use “Accelerator Center for Neutron Research of the Structure of Substance and Nuclear Medicine” of the INR RAS were used. . - ISSN 1528-7483
   Перевод заглавия: Индуцированный давлением структурный переход в полярную фазу в GdFe3(BO3)4
Кл.слова (ненормированные):
Boron -- Crystal lattices -- Ferroelectricity -- Ions -- Iron compounds
Аннотация: The GdFe3(BO3)4 crystal has attracted great interest as a magnetic-field-induced multiferroic. In this paper, we show that the multiferroic properties in this crystal can be induced by high pressure. At high pressures up to 50 GPa, created in diamond anvil cells, the structural and vibrational (phonon) properties of the GdFe3(BO3)4 crystal were studied. The structural phase transition was detected at about 23–25 GPa by Raman and synchrotron Mössbauer (NFS) spectroscopy. First-principle calculations of the crystal lattice dynamics at pressures below and above the structural transition were carried out. It was established that at pressures above the structural transition, the space group R32 of GdFe3(BO3)4 is changed to the polar space group R3, and the crystal becomes a ferroelectric. At the R32 → R3 transition, the displacement of the boron ion B(2) and oxygen O results in the formation of boron–oxygen B(2)O4 tetrahedrons instead of the plane BO3 triangles. Meanwhile, the triangle oxygen environment of boron in the site B(1) remains unchanged. The nearest environment of the gadolinium ion also changes significantly. Instead of six oxygen ions in the R32 phase, the nearest surroundings of Gd in the R3 phase consist of nine oxygen ions forming a complex polyhedron. A large hysteresis of the transition indicates that this crystal remains a ferroelectric with a decrease in pressure to about ambient pressure.

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Держатели документа:
Shubnikov Institute of Crystallography of FSRC Crystallography and Photonics RAS, Moscow, 119333, Russian Federation
Institute for Nuclear Research, Russian Academy of Sciences, Troitsk, Moscow, 108840, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
REC Functional Nanomaterials, Immanuel Kant Baltic Federal University, Kaliningrad, 236041, Russian Federation

Доп.точки доступа:
Lyubutin, I. S.; Gavriliuk, A. G.; Andryushin, N. D.; Андрюшин, Никита Дмитриевич; Pavlovskiy, M. S.; Павловский, Максим Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Lyubutina, M. V.; Troyan, I. A.; Smirnova, E. S.
}
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13.

Non-chemical fluorination of hexagonal boron nitride by high-energy ion irradiation / S. Entani [et al.] // Nanotechnology. - 2020. - Vol. 31, Is. 12. - Ст. 125705, DOI 10.1088/1361-6528/ab5bcc. - Cited References: 53 . - ISSN 0957-4484. - ISSN 1361-6528
Кл.слова (ненормированные):
Hexagonal boron nitride -- heteroatom doping -- high-energy ion irradiation -- near edge X-ray absorption fine structure -- ab initio calculation
Аннотация: Two-dimensional materials such as hexagonal boron nitride (h-BN) and graphene have attracted wide attention in nanoelectronics and spintronics. Since their electronic characteristics are strongly affected by the local atomic structure, the heteroatom doping could allows us to tailor the electronic and physical properties of two-dimensional materials. In this study, a non-chemical method of heteroatom doping into h-BN under high-energy ion irradiation was demonstrated for the LiF/h-BN/Cu heterostructure. Spectroscopic analysis of chemical states on the relevant atoms revealed that 6 ± 2% fluorinated h-BN are obtained by the irradiation of 2.4 MeV Cu2+ ions with the fluence up to 1014 ions/cm2. It was shown that the high-energy ion irradiation leads to a single-sided fluorination of h-BN by the formation of the fluorinated sp 3-hybridized BN.

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Держатели документа:
National Institutes for Quantum and Radiological Science and Technology Takasaki Advanced Radiation Research Institute, Takasaki, 370-1292, JAPAN
National University of Science and Technology MISiS, Moscow, RUSSIAN FEDERATION
Kirensky Institute of Physics, Krasnoyarsk, RUSSIAN FEDERATION
Ritsumeikan University College of Science and Engineering Graduate School of Science and Engineering, Kusatsu, Shiga, JAPAN
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Sendai, JAPAN
Research Institute for Applied Mechanics, Kyushu University, Kasuga, JAPAN
National Institutes for Quantum and Radiological Science and Technology Takasaki Advanced Radiation Research Institute, Takasaki, JAPAN
Inorganic Nanomaterials lab, Nacional'nyj issledovatel'skij tehnologiceskij universitet MISiS, Moscow, Moscow, RUSSIAN FEDERATION

Доп.точки доступа:
Entani, Shiro; Larionov, K. V.; Ларионов, Константин В.; Popov, Z. I.; Попов, Захар Иванович; Takizawa, Masaru; Mizuguchi, Masaki; Watanabe, Hideo; Li, Songtian; Naramoto, Hiroshi; Sorokin, Pavel B.; Sakai, Seiji
}
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14.

Multicomponent flux growth and composition control of Cu2MnBO5:Ga ludwigites / E. Moshkina, A. Krylov, D. Kokh [et al.] // CrystEngComm. - 2022. - Vol. 24, Is. 19. - P. 3565-3575, DOI 10.1039/d2ce00258b. - Cited References: 26. - This study was supported by the Russian Science Foundation (Grant No. 21-72-00130). The Raman, X-ray, and EDX data were obtained using the analytical equipment of the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS” . - ISSN 1466-8033
Кл.слова (ненормированные):
Bismuth compounds -- Boron compounds -- Copper compounds -- Crystal symmetry -- Energy dispersive spectroscopy -- Gallium -- Manganese oxide -- Positive ions -- Sodium compounds
Аннотация: To reach the concentration phase boundary between antiferromagnetic Cu2GaBO5 and ferrimagnetic Cu2MnBO5 ludwigites, solid solutions Cu2Mn1−xGaxBO5 (x = 0.05, 0.1, 0.15, 0.175) were grown by the flux technique using a multi-component solvent based on Bi2Mo3O12 with the addition of Na2B4O7 which significantly influenced the crystal formation and cation composition of the studied compounds. The content of the flux system was corrected taking into account the earlier established relationship of the partition coefficients of Mn2O3 and Ga2O3. The influence of the solvent components on the ludwigite crystallization was analyzed. The maximum size of the grown crystal was 1 × 1 × 4 mm3. The structure and cation composition of the grown compounds were studied using X-ray (X-ray diffraction, EDX (energy-dispersive X-ray spectroscopy)) and vibrational (Raman) spectroscopy techniques. The phase boundary of Cu2MnBO5–Cu2GaBO5 was found to be in the concentration range of x = 0.15–0.175, corresponding to a change in the monoclinic axis direction and a leap in the lattice parameters. The symmetry evolution of metal–oxygen octahedra for four nonequivalent cation positions was analyzed, and the unique crystal structure of Cu2MnBO5 demonstrated high rigidity relative to the introduction of Ga3+ cations. The polarized Raman spectra of monoclinic ludwigites were obtained and studied for the first time. A comparison of the spectra of the studied samples in both phases and orthorhombic ludwigites was made. A number of spectral features due to the monoclinic distortions in the crystal were found. In agreement with the Raman experiment, the concentration phase boundary was close to 0.15.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian State University of Science and Technologies, Krasnoyarsk, 660037, Russian Federation
Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
St Petersburg University, St Petersburg, 199034, Russian Federation

Доп.точки доступа:
Moshkina, E. M.; Мошкина, Евгения Михайловна; Krylov, A. S.; Крылов, Александр Сергеевич; Kokh, D.; Shabanova, K.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bovina, A. F.; Бовина, Ася Федоровна; Plyaskin, M.; Пляскин, Михаил Е.; Rostovtsev, N.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич
}
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15.

    Magnesium Boride Nanotubes: Relative Stability and Atomic and Electronic Structure / P. B. Sorokin [et al.] // J. Phys. Chem. C. - 2010. - Vol. 114, Is. 11. - P. 4852-4856, DOI 10.1021/jp9112014. - Cited Reference Count: 38. - Гранты: P.B.S. and B.I.Y. acknowledge support by the Basic Energy Sciences division of the Department of Energy, award DE-SC0001479. L.A.C. was supported by the Russian Academy of Sciences, program No. 21. P.V.A ad P.B.S. also acknowledge the collaborative RFBR-JSPS grant No. 09-02-92107-R Phi. We are grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for the possibility of using a cluster computer for quantum chemical calculations. The geometry of all presented structures was visualized by commercial ChemCraft software (http://www.chemcraftprog.com). - Финансирующая организация: Basic Energy Sciences division of the Department of Energy [DE-SC0001479]; Russian Academy of Sciences [21]; RFBR-JSPS [09-02-92107-RPhi] . - MAR 25. - ISSN 1932-7447
Рубрики:
BORON
   PSEUDOPOTENTIALS
   FULLERENES
   SIMULATION
   FORM
Кл.слова (ненормированные):
Basic composition -- Bending behavior -- Comparative studies -- Diborides -- Energy analysis -- Energy minima -- Magnesium atom -- Magnesium boride -- MgB2 -- Relative stabilities -- Semiconducting behavior -- Small-diameter -- Staggered configuration -- Sub-lattices -- Bending (forming) -- Borides -- Boron -- Electronic properties -- Electronic structure -- Energy management -- Magnesium -- Nanotubes -- Density functional theory
Аннотация: A comparative study of file energies and the electronic structure of MgBx nanotubes is performed within the framework of the density functional theory. Different basic compositions (x = 2 for diboride and x = 3 for triboride) and different diameters (3 angstrom < D < 18 angstrom), as well the exterior, interior, and staggered placement of magnesium atoms, are considered. Energy analysis reveals a nontrivial bending behavior of the MgB2 sheets. such that the tubes with exterior and staggered configurations display the energy minima at certain small diameters (of the boron cage sublattice). The semiconducting behavior of narrow MgB2 nanotubes with exterior Mg position was observed.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77251 USA
Rice Univ, Dept Chem, Houston, TX 77251 USA
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Sorokin, P. B.; Avramov, P.V.; Yakobson, B.I.; Chernozatonskii, L.A.
}
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16.

    Kuzubov, A. A.
    Ab initio investigation of a new boron nitride allotrope / A. A. Kuzubov, L. V. Tikhonova, A. S. Fedorov // Phys. Status Solidi B. - 2014. - Vol. 251, Is. 6. - P. 1282-1285, DOI 10.1002/pssb.201350389. - Cited References: 31. - We acknowledge support of the Russian Foundation for Basic Research through Grant No. 12-02-00640. Also, we thank the Institute of Computer Modeling (Siberian Division, Russian Academy of Sciences, Krasnoyarsk), the Joint Supercomputer Center of the Russian Academy of Sciences (Moscow), the computer cluster "Chebyshev" of the Moscow State University (Moscow), and the supercomputer of the Institute of Space and Information Technologies of the Siberian Federal University for providing an opportunity to use their computers for performing all calculations. . - ISSN 0370-1972. - ISSN 1521-3951
Рубрики:
AUGMENTED-WAVE METHOD
   MOLECULAR-DYNAMICS
   TRANSITION
   METALS
Кл.слова (ненормированные):
boron nitride -- computational materials science -- density functional theory -- elastic properties -- superhard materials
Аннотация: A new allotropic superhard and superdense structure of sp3-bonded boron nitride (hP3-BN) is proposed. Geometric electronic, elastic, and optical properties of the structure are investigated by density functional theory generalized gradient approximation (DFT-GGA) calculations. It is shown that the structure is an insulator with a band gap of 5.06 eV; is density is 5.03% higher than that of cubic boron nitride (c-BN) and its bulk modulus is 2.25% higher than that of c BN. The calculated hP3-BN refractive index in the range 200-800 nm is significantly higher than the indexes of diamond and all known carbon allotropes, expect for the analogous carbon h-P3 structure, and it has a large optical dispersion. In the range above 800 nm the refractive index changes from 2.60 to 2.35. (C) WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia
Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia

Доп.точки доступа:
Tikhonova, L. V.; Fedorov, A. S.; Федоров, Александр Семенович; Кузубов, Александр Александрович; Russian Foundation for Basic Research [12-02-00640]
}
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17.

Kagan, M. Y.
Anomalous superconductivity and superfluidity in repulsive fermion systems / M. Y. Kagan, V. A. Mitskan, M. M. Korovushkin // Phys. Usp. - 2015. - Vol. 58, Is. 8. - P. 733-761, DOI 10.3367/UFNe.0185.201508a.0785. - Cited References: 369. - We are grateful to M A Baranov, A V Chubukov, D V Efremov, M V Feigel'man, V V Kabanov, K I Kugel', M S Marienko, N M Plakida, N V Prokorev, A Ya Tzalenchuk, and V V Val'kov for the fruitful discussions and constant attention to our work. The work was supported by the Russian Foundation for Basic Research (project nos. 14-02-00058 and 14-02-31237). M Yu K thanks the Program of Basic Research of the National Research University Higher School of Economics for support. The work of MM K was supported by grant of the President of the Russian Federation (SP-1361.2015.1) and the Dinasty Foundation . - ISSN 1063-7869

РУБ Physics, Multidisciplinary
Рубрики:
HEXAGONAL BORON-NITRIDE
   SCANNING-TUNNELING-MICROSCOPY
   2-DIMENSIONAL HUBBARD-MODEL
   HIGH-TC SUPERCONDUCTIVITY
   ELECTRON-ENERGY SPECTRUM
   P-WAVE SUPERCONDUCTIVITY
   DOUBLE-LAYER GRAPHENE
   2D KONDO-LATTICE
   GROUND-STATE
   TRANSITION-TEMPERATURE
Кл.слова (ненормированные):
anomalous superconductivity -- Kohn-Luttinger mechanism -- superfluidity -- repulsive Fermi gas -- Hubbard and t-Jmodel -- Shubin Vonsovsky model -- graphene monolayer -- graphene bilayer
Аннотация: We discuss the mechanisms of unconventional superconductivity and superfluidity in 3D and 2D fermionic systems with purely repulsive interaction at low densities. We construct phase diagrams of these systems and find the areas of the superconducting state in free space, as well as on the lattice in the framework of the Fermi-gas model with hard-core repulsion, the Hubbard model, the Shubin-Vonsovsky model, and the t-J model. We demonstrate that the critical superconducting temperature can be greatly increased in the spin-polarized case or in a two-band situation already at low densities. The proposed theory is based on the Kohn-Luttinger mechanism or its generalizations and explains or predicts anomalous p-, d-, and f-wave pairing in various materials, such as high-temperature superconductors, the idealized monolayer and bilayer of doped graphene, heavy-fermion systems, layered organic superconductors, superfluid 3He, spin-polarized 3He mixtures in 4He, ultracold quantum gases in magnetic traps, and optical lattices.

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Публикация на русском языке Каган, Максим Юрьевич. Аномальная сверхпроводимость и сверхтекучесть в фермионных системах с отталкиванием [Текст] / М. Ю. Каган, В. А. Мицкан, М. М. Коровушкин // Успехи физ. наук : ред. журн. "Успехи физ. наук", 2015. - Т. 185 № 8. - С. 785-815

Держатели документа:
Kapitza Institute for Physical Problems, Russian Academy of Sciences, ul. Kosygina 2, Moscow, Russian Federation
National Research University, Higher School of Economics, ul. Myasnitskaya 20, Moscow, Russian Federation
Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences, Akademgorodok 50, str. 38, Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aerospace University, prosp. Gazety Krasnoyarskii rabochii 31, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Mitskan, V. A.; Мицкан, Виталий Александрович; Korovushkin, M. M.; Коровушкин, Максим Михайлович
}
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18.

Ganzhenko, I. M.
Magnetite losses decrease at the Abagurskaya concentrating plant / I. M. Ganzhenko, E. K. Yakubaylik // Obogashch. Rud. - 2015. - Is. 1. - P. 22-25. - Cited References: 7 . - ISSN 0202-3776
Кл.слова (ненормированные):
Magnetite -- Magnetic separator -- Neodymium-iron-boron -- Magnetic-field intensity -- Saturation magnetization, residual and in different fields -- Coercive force -- Specific magnetic susceptibility
Аннотация: Presently, owing to the wet magnetic concentration technology and equipment improvement, losses of magnetite iron in tailings were reduced close to 1 % at all iron ore processing facilities. This raises the question of magnetite losses limit value that may be reached on the basis of the available engineering and technical provision. The results of the investigations, performed with a view to estimate achievable level of magnetite losses at the Abagurskaya concentrating plant, are presented. As a result of the composition and magnetic properties investigations, carried out on samples of concentrate and classifiers overflow products, as well as final tailings in all processing operations, it was established, that losses of magnetite iron in tailings could be reduced to 0.5 %. With that, decrease by 0.15 % may be achieved by means of replacement of all barium-ferrite systems with the ones made of neodymium-iron-boron alloy, and by 0.30 %-through application of separators of the type PBR-P-90/250A in magnetite heavy-medium regeneration, as well as application of neodymium-iron-boron alloy magnets.

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Публикация на русском языке Ганженко И. М. Снижение потерь магнетита на Абагурской обогатительной фабрике [Текст] / И. М. Ганженко, Э. К. Якубайлик // Обогащение руд : Руда и металлы, 2015. - № 1. - С. 22-25

Держатели документа:
Evraz's Abagur Branch, Russian Federation
L. V. Kirensky Institute of Physics, Siberian Branch of RAS, Russian Federation

Доп.точки доступа:
Yakubaylik, E. K.; Якубайлик, Эдуард Константинович
}
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19.

Evolution of the optical absorption spectra and electronic structure of the VBO3 crystal under high pressures / N. V. Kazak [et al.] // J. Exp. Theor. Phys. - 2009. - Vol. 109, Is. 3. - P. 455-465, DOI 10.1134/S1063776109090118. - Cited References: 27. - We would like to thank A. D. Vasil'ev for performing the X-ray diffraction investigations.This study was supported by the Russian Foundation for Basic Research (project nos. 07-02-00490a, 08-02-00897a, 08-02-90708 mob_st, 09-02-00171a, and 07-02-00226), the Federal Agency for Science and Innovation (Rosnauka) (project no. MK-4278.2008.2, contract no. 01.164.12.HB11), and the Branch of Physical Sciences of the Russian Academy of Sciences within the framework of the program "Strongly Correlated Electrons." . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
BAND-STRUCTURE
   PHASE-TRANSITION
   FEBO3
   FE1-XVXBO3
   STATE
   MODEL
Кл.слова (ненормированные):
Charge-transfer excitations -- D-d transitions -- Ferromagnetic semiconductor -- Fundamental absorption edge -- High pressure -- Optical absorption spectrum -- Absorption -- Boron -- Boron compounds -- Electronic properties -- Electronic structure -- Optical materials -- Oxygen -- Vanadium -- Light absorption
Аннотация: The evolution of optical absorption spectra of the ferromagnetic semiconductor VBO3 under high pressures up to 70 GPa has been investigated. It has been revealed that, below the fundamental absorption edge (E (g1) = 3.02 eV), the spectra exhibit a series of bands V1 (2.87 eV), V2 (2.45 eV), V3 (1.72 eV), and V4(1.21 eV) due to the d-d transitions in the V3+ ion and charge-transfer excitations. A model of the electronic structure of the VBO3 semiconductor has been constructed. This model combines the one-electron description of the s and p states of boron and oxygen and the many-electron description of the vanadium d states.

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Публикация на русском языке Эволюция спектров оптического поглощения и электронной структуры в кристалле VBO[3] при воздействии высоких давлений [Текст] / Н. В. Казак [и др.] // Журн. эксперим. и теор. физ. - 2009. - Т. 136 Вып. 3. - С. 531-542

Держатели документа:
[Kazak, N. V.
Ovchinnikov, S. G.
Edel'man, I. S.
Rudenko, V. V.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Gavriliuk, A. G.
Lyubutin, I. S.] Russian Acad Sci, AV Shubnikov Crystallog Inst, Moscow 119333, Russia
[Gavriliuk, A. G.] Russian Acad Sci, Inst High Pressure Phys, Troitsk 142190, Moscow Oblast, Russia
[Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskii pr. 59, Moscow 119333, Russian Federation
Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow oblast 142190, Russian Federation
Siberian Federal University, Svobodny pr. 79, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Kazak, N. V.; Казак, Наталья Валерьевна; Gavriliuk, A. G.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Lyubutin, I. S.; Edel'man, I. S.; Edelman, I. S.; Rudenko, V. V.; Руденко, Валерий Васильевич; Russian Foundation for Basic Research [07-02-00490a, 08-02-00897a, 08-02-90708 mob_st, 09-02-00171a, 07-02-00226]; Federal Agency for Science and Innovation [MK-4278.2008.2, 01.164.12.HB11]; Russian Academy of Sciences
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20.

DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures / A. S. Fedorov [et al.] // Phys. Status Solidi B. - 2012. - Vol. 249, Is. 12. - P. 2549-2552, DOI 10.1002/pssb.201200105. - Cited References: 32. - The work was supported by The Ministry of education and science of Russia, project 14.B37.21.0163. The authors express their gratitude to the Joint Supercomputer Center, Russian Academy of Sciences, Moscow and the supercomputer center of the Moscow State University (SKIF-MGU) for the possibility of using their computer clusters to perform all calculations. . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
WALLED CARBON NANOTUBES
   INITIO MOLECULAR-DYNAMICS
   AB-INITIO
   DEFECTS
   STATE
   MONOLAYER
   POINTS
Кл.слова (ненормированные):
boron nitride -- carbon silicide -- elastic properties -- graphene -- magnetic properties -- vacancies
Аннотация: Influence of ordered monovacancies on elastic properties of graphene is theoretically investigated by density functional theory (DFT) calculations. Inverse linear dependence of the graphene Young's modulus on the concentration of vacancies has been revealed and migration rate of the vacancies has been calculated as a function of applied strain. It is shown that the migration rate can be controlled by applying various strains or temperatures. The influence of ordered monovacancies on magnetic properties of graphene as well as graphene-like hexagonal carbon silicide (2D-SiC) and the boron nitride (h-BN) structures is investigated. It is established that the presence of vacancies in all systems yields the appearance of local magnetic moment. However, in 2D-SiC structure the magnetic moment occurs only in the case of a Si vacancy. Influence of the distance between vacancies on the ferromagnetic or anti-ferromagnetic ordering for all structures is established. (C) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
[Fedorov, A. S.
Popov, Z. I.
Fedorov, D. A.] RAS, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Serjantova, M. V.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660028, Russia

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Popov, Z. I.; Попов, Захар Иванович; Fedorov, D. A.; Федоров, Дмитрий Александрович; Eliseeva, N. S.; Serjantova, M. V.; Kuzubov, A. A.; Кузубов, Александр Александрович
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