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Dark conductivity and photoconductivity of germanium-sillenite crystals doped with aluminum and boron / A. T. Anistratov [et al.] // Fiz. Tverd. Tela. - 1980. - Vol. 22, Is. 6. - P. 1865-1867. - Cited References: 6 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

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Доп.точки доступа:
Anistratov, A. T.; Vorobev, A. V.; Grekhov, Y. N.; Malyshevskii, N. G.
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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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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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Chernozatonskii, L. A.
New boron barrelenes and tubulenes / L. A. Chernozatonskii, P. B. Sorokin, B. I. Yakobson // JETP Letters. - 2008. - Vol. 87, Is. 9. - P. 489-493, DOI 10.1134/S0021364008090087. - Cited References: 21 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-DYNAMICS
   NANOTUBES
   TRANSITION
   SIMULATION
Аннотация: The structure of a new class of boron nanostructures-barrelenes and tubulenes-based on a boron atomic lattice constructed by the alternating B-atomic polygons with central atoms and without them has been proposed and their properties have been described. Ab initio density functional calculations have been performed for the energy and electronic structure of the fullerene-barrelene-nanotube series based on the lowest energy fullerene B-80. It has been shown that the energy and band gap of a barrelene are lower than the respective quantities of the corresponding fullerene and tend to the respective values for nanotubes in the infinite limit. It has been shown that there are isomers of nanotubes of the same type that are significantly different in symmetry and electronic properties: a semiconductor (C-5v symmetry) and a metal (D-5h symmetry).

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Держатели документа:
[Chernozatonskii, L. A.
Sorokin, P. B.] Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
[Sorokin, P. B.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Sorokin, P. B.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660049, Russia
[Yakobson, B. I.] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77251 USA
[Yakobson, B. I.] Rice Univ, Dept Chem, Houston, TX 77251 USA
ИФ СО РАН
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, ul. Kosygina 4, Moscow 119334, Russian Federation
Siberian Federal University, Krasnoyarsk 660041, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660049, Russian Federation
Department of Mechanical Engineering and Material Science, Rice University, Houston, TX 77251, United States

Доп.точки доступа:
Sorokin, P. B.; Yakobson, B. I.
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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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    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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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 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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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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10.

Contact-induced spin polarization in graphene/h-BN/Ni nanocomposites / P. V. Avramov [et al.] // J. Appl. Phys. - 2012. - Vol. 112, Is. 11. - Ст. 114303. - P. , DOI 10.1063/1.4767134. - Cited References: 47. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. The authors are grateful to the ICS SB RAS and SFU CC (Krasnoyarsk), ISC RAS and MSU CRC, (SKIF MSU "Chebyshev", Moscow) for computer resources. This work was partially supported by the RFBR grant 12-02-31417. . - ISSN 0021-8979

РУБ Physics, Applied + Boron nitride + Electronic structure + Nanocomposites + Plates (structural components) + Spin polarization + Graphene
Рубрики:
HEXAGONAL BORON-NITRIDE
   TRILAYER GRAPHENE
   NI(111) SURFACE
   GRAPHITE
   APPROXIMATION
   SPINTRONICS
   DIFFRACTION
   SIMULATION
   SUBSTRATE
   CARBON
Аннотация: Atomic and electronic structure of graphene/Ni(111), h-BN/Ni(111) and graphene/h-BN/Ni(111) nanocomposites with different numbers of graphene and h-BN layers and in different mutual arrangements of graphene/Ni and h-BN/Ni at the interfaces was studied using LDA/PBC/PW technique. Using the same technique corresponding graphene, h-BN and graphene/h-BN structures without the Ni plate were calculated for the sake of comparison. It was suggested that C-top:C-fcc and N-top:B-fcc configurations are energetically favorable for the graphene/Ni and h-BN/Ni interfaces, respectively. The Ni plate was found to induce a significant degree of spin polarization in graphene and h-BN through exchange interactions of the electronic states located on different fragments. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4767134]

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Держатели документа:
[Avramov, Pavel V.
Sakai, Seiji
Ohtomo, Manabu
Entani, Shiro
Matsumoto, Yoshihiro
Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Avramov, Pavel V.
Kuzubov, A. A.
Eleseeva, Natalia S.] LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Sakai, Seiji; Ohtomo, Manabu; Entani, Shiro; Matsumoto, Yoshihiro; Naramoto, Hiroshi; Eleseeva, N. S.; Елисеева, Наталья Сергеевна
}
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