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Sukhinin, Y. V.
Phase transitions in self-assembled monolayers of alkanethiols containing the polar group / Y. V. Sukhinin // J. Exp. Theor. Phys. - 1998. - Vol. 87, Is. 1. - P. 115-122, DOI 10.1134/1.558645. - Cited References: 38 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
ORGANIZED MOLECULAR ASSEMBLIES
   ALKYL THIOL MONOLAYERS
   STRUCTURAL CHARACTERIZATION
   DYNAMICS SIMULATION
   LANGMUIR MONOLAYER
   SURFACES
   GOLD
   FILMS
   AU(111)
   MODEL
Аннотация: Equilibrium states of the system of self-assembled monolayers (SAMs) of n-alkanethiol molecules HS(CH2)(n-1)(X) with polar group X chemiabsorbed on the Au(111) crystal surface are considered. The couplings between the atoms (C, H) of the n-alkanethiols are approximated by the Lennard-Jones potential. The couplings between the n-alkanethiols and the crystal surface are approximated by the 12-3 potential. The interactions of polar groups and the self-images with the metal substrate are taken into consideration. The phase-transition temperatures, the structural order and equilibrium tilt, and the twist and azimuthal angles of the macromolecules, which depend on the dipole moments, are found. (C) 1998 American Institute of Physics.

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Держатели документа:
LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
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Interference quenching of light transmitted through a monolayer film of polymer-dispersed nematic liquid crystal / A. V. Konkolovich [et al.] // JETP Letters. - 2000. - Vol. 71, Is. 12. - P. 486-488. - Cited References: 8 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary

Аннотация: A theoretical study of light transmission through a polymer with a monolayer ensemble of bipolar nematic droplets under applied electric film is performed. The possibility of interference quenching of monochromatic coherent light directly transmitted through the film is predicted theoretically and realized in the experiment. (C) 2000 MAIK "Nauka/Interperiodica".

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Держатели документа:
Belarussian Acad Sci, BI Stepanov Phys Inst, Minsk 220072, Byelarus
Russian Acad Sci, Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Stepanov Institute of Physics, Belarussian Academy of Sciences, Minsk, 220072, Belarus
Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Konkolovich, A. V.; Presnyakov, V. V.; Zyryanov, V. Y.; Зырянов, Виктор Яковлевич; Loiko, V. A.; Shabanov, V. F.; Шабанов, Василий Филиппович
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Barannik, A. V.
Interference oscillations in the dynamics of the optical response of polymer dispersed nematic liquid crystals / A. V. Barannik, A. V. Shabanov, V. Y. Zyryanov // Tech. Phys. Lett. - 2002. - Vol. 28, Is. 8. - P. 675-677, DOI 10.1134/1.1505547. - Cited References: 14 . - ISSN 1063-7850

РУБ Physics, Applied
Рубрики:
REORIENTATION
MONOLAYER
Аннотация: The dynamics of the optical response of a polymer-dispersed nematic liquid crystal under the action of electric field pulses was experimentally studied for film samples differing in the size of nematic droplets. The optical signal relaxation curve exhibits an oscillating character, with the number of oscillations determined by the transverse size of the nematic droplets. The interference character of the signal oscillations is confirmed by an analysis of the oscillating response within the framework of the anomalous diffraction approximation and by a comparison with the dependence of the transmitted light intensity on the applied voltage measured in a static regime. (C) 2002 MAIK "Nauka / Interperiodica".

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Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shabanov, A. V.; Шабанов, Александр Васильевич; Zyryanov, V. Y.; Зырянов, Виктор Яковлевич
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Small angle light scattering by PDNLC monolayer [Text] / V. A. Loiko, V. Ya. Zyryanov [et al.] // 18th International Symposium "Advanced Display Technologies". - 2010. - P140

Доп.точки доступа:
Loiko, V.A.; Zyryanov, V.Ya.; Konkolovich, A.V.; Misckevich, F.F.; "Advanced Display Technologies", International Symposium(18 ; 2010 ; St.-Petersburg, Russia)
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Small-angle light scattering by monolayer of liquid crystal droplets in polymer matrix / V. A. Loiko [et al.] // Atti della Accademia Peloritana dei Pericolanti, Classe di Scienze Fisiche, Matematiche e Naturali. - 2011. - Т. 89, №SUPPL. 1, DOI 10.1478/C1V89S1P059 . - ISSN 0365-0359. - ISSN 1825-1242

РИНЦ
Держатели документа:
Kirenski Institute of Physics,Siberian Branch,Russian Academy of Sciences
Laboratoire de Chimie Macromoleculaire,Universite des Sciences et Technologies de Lille
Stepanov Institute of Physics,National Academy of Sciences of Belarus

Доп.точки доступа:
Loiko, V. A.; Konkolovich, A. V.; Miskevich, A. A.; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Maschke, U.
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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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Investigation of small-angle light scattering by monolayer of LC droplets with modified boundary conditions [Text] / V. A. Loiko, V. Ya. Zyryanov, A. V. Konkolovich [et al.] // 14th Topical Meeting on Optics of Liquid Crystals (OLC-2011) : Book of abstracts. - 2011

Доп.точки доступа:
Loiko, V.A.; Zyryanov, V.Ya.; Konkolovich, A.V.; Misckevich, A.A.; Maschke, U.; Topical Meeting on Optics of Liquid Crystals(14 ; 2011 ; 25 Sep.-1 Oct. ; Erevan, Armenia)
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10.

Investigation of transmittance and small-angle light scattering by monolayer of liquid crystal droplets with modified boundary conditions / V. A. Loiko [et al.] // Mol. Cryst. Liquid Cryst. - 2012. - Vol. 561, Is. 1. - P. 194-202, DOI 10.1080/15421406.2012.687237. - Cited References: 24 . - ISSN 1542-1406

РУБ Crystallography
Рубрики:
NEMATIC DROPLETS
   ANOMALOUS DIFFRACTION
   APPROXIMATION
   FILM
Кл.слова (ненормированные):
Light modulation -- light scattering -- polymer dispersed liquid crystal -- optical transmittance
Аннотация: A numerical method for modelling transmittance and angular distribution of light scattered by a Polymer Dispersed Liquid Crystal (PDLC) film, containing droplets with inhomogeneous boundary conditions, is proposed. It is based on the anomalous diffraction approximation and an interference approximation. The internal structures of nematic LC droplets are calculated on the basis of the free energy minimization problem solution using the relaxation method. The results for a monolayer of spherical LC droplets with modified boundary conditions caused by the local increase of the concentration of surface-active ions at the polymer-LC interface are discussed.

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Доп.точки доступа:
Loiko, V. A.; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Konkolovich, A. V.; Misckevich, A. A.; Krakhalev, M. N.; Крахалев, Михаил Николаевич; Maschke, U.; International Topical Meeting: Optics of Liquid Crystals (14th ; Sept 25 - Oct 1, 2011 ; Yerevan, Armenia)
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