Главная
Авторизация
Фамилия
Пароль
 

Базы данных


Труды сотрудников ИФ СО РАН - результаты поиска

Вид поиска

Область поиска
в найденном
Формат представления найденных документов:
полныйинформационныйкраткий
Отсортировать найденные документы по:
авторузаглавиюгоду изданиятипу документа
Поисковый запрос: (<.>K=monolayer<.>)
Общее количество найденных документов : 30
Показаны документы с 1 по 20
1.
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
УДК
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.
}
Найти похожие
2.


   
    Возможность образования монослоя 2D SIC на подложках Mg(0001) и MgO(111) / А. А. Кузубов [и др.] // Журн. физ. химии. - 2013. - Т. 87, № 8. - С. 1336-1340DOI 10.7868/S0044453713080189
Аннотация: Исследованы геометрические особенности монослоя 2D SiC на пластинках Mg(0001) и MgO(111), рассматриваемых в качестве потенциальных материалов для выращивания двумерного карбида кремния. Определены наиболее выгодные положения атомов 2D SiC на подложках. Показано, что величина выхода атома углерода из плоскости монослоя карбида кремния незначительна в системе 2D SiC/Mg(0001) в отличие от 2D SiC/MgO(111) и составляет 0.08 A. Следовательно, существует возможность использования магния в качестве подложки для выращивания двумерного карбида кремния. Использовать MgO(111) нецелесообразно из-за сильного искажения поверхности 2D SiC.

РИНЦ,
Читать в сети ИФ

Переводная версия Possibility of a 2D SiC monolayer formation on Mg(0001) and MgO(111) substrates. - [Б. м. : б. и.]

Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Кузубов, Александр Александрович; Kuzubov A. A.; Елисеева, Наталья Сергеевна; Краснов, Павел Олегович; Krasnov, P. O.; Томилин, Феликс Николаевич; Tomilin F. N.; Федоров, Александр Семенович; Fedorov A. S.; Толстая, А. В.
}
Найти похожие
3.


   
    Triple VTe2/graphene/VTe2 heterostructures as perspective magnetic tunnel junctions / L. V. Begunovich, A. V. Kuklin, M. A. Visotin [et al.] // Appl. Surf. Sci. - 2020. - Vol. 510. - Ст. 145315, DOI 10.1016/j.apsusc.2020.145315. - Cited References: 67. - This work was supported by the government contract of the Ministry of Science and Higher Education of the Russian Federation to Siberian Federal University (Grant No. 16.1455.2017/PCh ) and Russian Foundation for Basic Research , Government of Krasnoyarsk Territory , Krasnoyarsk Regional Fund of Science to the research project: “Quantum chemical modeling of Bychkov-Rashba interfaces based on transition metal compounds and nanoscaled organic fragments”. P.V.A. and A.V.K. gratefully acknowledges the financial support of National Research Foundation of Republic of Korea for support under Grant No. NRF-2017R1A2B4004440 . A.V.K. also acknowledges the US Air Force Office of Scientific Research (contract FA-9550-18-1-0032) for support. The authors would like to thank Information Technology Center, Novosibirsk State University, Institute of Computational Modelling of SB RAS, Krasnoyarsk for providing the access to supercomputer facilities, and Irkutsk Supercomputer Center of SB RAS for providing the access to HPC-cluster “Akademik V.M. Matrosov” (Irkutsk Supercomputer Center of SB RAS, Irkutsk: ISDCT SB RAS; http://hpc.icc.ru, accessed 13.05.2019 ) . - ISSN 0169-4332
Кл.слова (ненормированные):
Magnetic tunnel junction -- Vanadium ditelluride monolayer -- Transition metal dichalcogenides -- Graphene -- Density functional theory
Аннотация: New perspective 1.4 nm thick spin-polarized triple heterostructures based on graphene sandwiched between two vanadium ditelluride monolayers (VTe2/graphene/VTe2) were studied using ab initio DFT technique. Both possible trigonal prismatic (H-VTe2) and octahedral (T-VTe2) VTe2 phases were considered to design and study graphene-based heterostructures. It was shown that the interaction with graphene changes the electronic structure of 2D T-VTe2 from metallic to half-metallic, making T phase perspective to be used for magnetic tunnel junctions. The electronic subsystem of graphene fragment is slightly hole doped. Calculated tunnel magnetoresistance ratio for the favorable heterostructure configuration estimated within the Julliere model is 220%, which opens a way to use VTe2/graphene/VTe2 as prospective magnetic tunnel junction in novel spintronic nanodevices based on tunnel magnetic resistance and spin transfer torque effects.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Держатели документа:
Siberian Federal University, 79 Svobodny Av., Krasnoyarsk, 660041, Russian Federation
Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, Royal Institute of Technology, Stockholm, SE-10691, Sweden
Kirensky Institute of Physics SB RAS, 50-38 Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Department of Chemistry, Kyungpook National University, 80 Daehakro, Bukgu, Daegu, 41566, South Korea

Доп.точки доступа:
Begunovich, L. V.; Kuklin, A. V.; Visotin, M. A.; Высотин, Максим Александрович; Kuzubov, A. A.; Tomilin, F. N.; Томилин, Феликс Николаевич; Tarasov, A. S.; Тарасов, Антон Сергеевич; Mikhalev, Y. G.; Avramov, P. V.
}
Найти похожие
4.


   
    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.

WOS,
Scopus,
Читать в сети ИФ


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.
}
Найти похожие
5.


   
    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.

WOS,
Scopus,
Читать в сети ИФ
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
}
Найти похожие
6.


   
    Theoretical investigation of the structure and properties of the VN(111) monolayer on the MgO(111) surface / A. V. Kuklin [et al.] // Phys. Solid State. - 2014. - Vol. 56, Is. 2. - P. 229-234, DOI 10.1134/S1063783414020164. - Cited References: 27. - This study was supported by the Russian Foundation for Basic Research (project no. 12-02-31417mol_a_2012). . - ISSN 1063-7834. - ISSN 1090-6460
РУБ Physics, Condensed Matter
Рубрики:
NANOCRYSTALLINE VANADIUM NITRIDE
   INITIO MOLECULAR-DYNAMICS

   1ST-PRINCIPLES

   COATINGS

Аннотация: The VN(111) monolayer on the MgO(111) surface has been simulated and optimized in terms of the density functional theory (DFT) calculations. The most favorable arrangement of vanadium nitride on the surface of the magnesium oxide plate has been found. The band structure and densities of states for the VN(111) monolayer have been calculated. It has been concluded based on the densities of states for the VN monolayer on the MgO surface that this structure exhibits properties of a diluted magnetic semiconductor.

Смотреть статью,
Scopus,
WoS,
Читать в сети ИФ

Публикация на русском языке Теоретическое исследование структуры и свойств монослоя VN(111) на поверхности MgO(111) [Текст] / А. В. Куклин [и др.] // Физ. тверд. тела. - 2014. - Т. 56 Вып. 2. - С. 230-234

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Kuklin, A. V.; Куклин, Артем Валентинович; Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Елисеева, Наталья Сергеевна; Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович; Krasnov, P. O.; Краснов, Павел Олегович; Russian Foundation for Basic Research [12-02-31417mol_a_2012]
}
Найти похожие
7.


   
    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.
}
Найти похожие
8.


   
    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)
}
Найти похожие
9.


   
    Semianalytical method to describe small-angle scattering of light by monolayer of polydisperse nematic droplets / V. A. Loiko [et al.] // Журнал прикладной спектроскопии. - 2016. - Т. 83: Спецвыпуск, Вып. 6-16, Ч. III-IV. - P. 525-526 . - ISSN 0514-7506
   Перевод заглавия: Полуаналитический метод описания малоуглового рассеяния света монослоем полидисперсных нематических капель
Аннотация: The approach to describe light scattering by a monolayer of nematic droplets which takes into account shape, anisotropy, director configuration, size distribution, orientation of droplets is worked out and compared with the experimental data.

РИНЦ



Доп.точки доступа:
Konkolovich, A. V.; Krakhalev, M. N.; Крахалев, Михаил Николаевич; Miskevich, A. A.; Prishchepa, O. O.; Прищепа, Оксана Олеговна; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Loiko, V. A.; International Conference on Coherent and Nonlinear Optics(2016 ; Sept. ; 26-30 ; Minsk, Belarus); International Conference on Lasers, Applications, and Technologies(2016 ; Sept. ; 26-30 ; Minsk, Belarus)
}
Найти похожие
10.


   
    Ring of bound states in the continuum in the reciprocal space of a monolayer of high-contrast dielectric spheres / A. S. Kostyukov, V. S. Gerasimov, A. E. Ershov, E. N. Bulgakov // Phys. Rev. B. - 2022. - Vol. 105, Is. 7. - Ст. 075404, DOI 10.1103/PhysRevB.105.075404. - Cited References: 43. - This research was supported by RFBR, Krasnoyarsk Territory, and Krasnoyarsk Regional Fund of Science, Project No. 20-42-240003, by the Ministry of Science and Higher Education of the Russian Federation, Project No. FSRZ-20200008 . - ISSN 2469-9950. - ISSN 2469-9969
РУБ Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter
Рубрики:
PHOTONIC BAND-STRUCTURE
   FANO RESONANCES

   SCATTERING

Аннотация: We consider light scattering by two-dimensional arrays of high-index dielectric spheres arranged into a triangular and square lattices. We demonstrate the appearance of the double degenerate accidental super-BIC modes with extremely suppressed radiative losses in the vicinity of the Γ point of the leaky band of the triangular lattice. Two rings of BICs (circular lines of BICs in reciprocal space) with different polarization appear at the point of the super-BIC destruction. The radius of the ring BIC (RBIC) changes as a function of the sphere's radius. We propose a generic analytical expression to describe the behavior of the guided mode decay rate as a function of the sphere radii and the wave vector in the vicinity of the RBIC. The results are explained using a multipolar approach.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Держатели документа:
Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem, Krasnoyarsk 660041, Russia.
Inst Computat Modelling SB RAS, Krasnoyarsk 660036, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Kostyukov, A. S.; Gerasimov, V. S.; Ershov, A. E.; Bulgakov, E. N.; Булгаков, Евгений Николаевич; RFBR Russian Foundation for Basic Research (RFBR); Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [20-42-240003]; Ministry of Science and Higher Education of the Russian Federation [FSRZ-20200008]
}
Найти похожие
11.


    Oreshonkov, A. S.
    Raman spectroscopy of Janus MoSSe monolayer polymorph modifications using density functional theory / A. S. Oreshonkov, E. V. Sukhanova, Z. I. Popov // Materials. - 2022. - Vol. 15, Is. 11. - Ст. 3988, DOI 10.3390/ma15113988. - Cited References: 45. - This research was funded by Russian Science Foundation, grant number 21-73-20183 . - ISSN 1996-1944
   Перевод заглавия: Спектроскопия комбинационного рассеяния света полиморфных модицикаций монослоёв MoSSe со структурой типа "Янус". Исследование в рамках теории функционала плотности
Кл.слова (ненормированные):
MoSSe -- dichalcogenides -- Janus structure -- Raman -- polymorph -- monolayer -- DFT
Аннотация: Two-dimensional transition metal dichalcogenides (TMDs) with Janus structures are at-tracting increasing attention due to their emerging superior properties in breaking vertical mirror symmetry when compared to conventional TMDs, which can be beneficial in fields such as piezoe-lectricity and photocatalysis. The structural investigations of such materials, along with other 2D materials, can be successfully carried out using the Raman spectroscopy method. One of the key elements in such research is the theoretical spectrum, which may assist in the interpretation of experimental data. In this work, the simulated Raman spectrum of 1H-MoSSe and the predicted Raman spectra for 1T, 1T’, and 1H’ polymorph modifications of MoSSe monolayers were characterized in detail with DFT calculations. The interpretation of spectral profiles was made based on the analysis of the lattice dynamics and partial phonon density of states. The presented theoretical data open the possibility of an accurate study of MoSSe polymorphs, including the control of the synthesized material quality and the characterization of samples containing a mixture of polymorphs.

Смотреть статью,
Scopus
Держатели документа:
Laboratory of Acoustic Microscopy, Emanuel Institute of Biochemical Physics of Russian Academy of Sciences, Moscow, 119334, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Sukhanova, E. V.; Popov, Z. I.; Орешонков, Александр Сергеевич
}
Найти похожие
12.


   
    Possibility of a 2D SiC monolayer formation on Mg(0001) and MgO(111) substrates / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2013. - Vol. 87, Is. 8. - P. 1332-1335, DOI 10.1134/S0036024413080141. - Cited References: 25 . - ISSN 0036-0244
РУБ Chemistry, Physical
Рубрики:
AB-INITIO
   THIN-FILMS

   NANOTUBES

   ENERGY

Кл.слова (ненормированные):
silicon carbide monolayer -- density functional theory
Аннотация: The geometrical characteristics of a 2D SiC monolayer on Mg(0001) and MgO(111) plates regarded as potential materials for growing two-dimensional silicon carbide were studied. The most favorable positions of the atoms of 2D SiC on the substrates were determined. In the 2D SiC/Mg(0001) system, unlike in 2D SiC/MgO(111), the deviation of the carbon atom from the silicon carbide monolayer was insignificant (0.08 ). Consequently, magnesium can be used as a substrate for growing two-dimensional silicon carbide. The use of MgO(111) is not recommended because of a significant distortion of the 2D SiC surface.

Смотреть статью,
Смотреть статью,
WOS,
Читать в сети ИФ

Публикация на русском языке Возможность образования монослоя 2D SIC на подложках Mg(0001) и MgO(111). - [S. l. : s. n.]

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk, Russia
Siberian State Univ Technol, Krasnoyarsk, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Krasnov, P. O.; Краснов, Павел Олегович; Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович; Tolstaya, A. V.
}
Найти похожие
13.


    Oreshonkov, A. S.
    Phonon dynamics in MoSi2N4: insights from DFT calculations / A. S. Oreshonkov, E. V. Sukhanova, Z. I. Popov // Phys. Chem. Chem. Phys. - 2023. - Vol. 25, Is. 43. - P. 29831-29841, DOI 10.1039/D3CP02921B. - Cited References: 74. - The authors acknowledge financial support from Russian Science Foundation (project №21-73-20183, https://rscf.ru/project/21-73-20183/) . - ISSN 1463-9076. - ISSN 1463-9084
Кл.слова (ненормированные):
monolayer -- bulk -- Raman spectrum -- nanostructure -- stability
Аннотация: We have reported the density functional theory investigations on the monolayer, 2 layered and bulk MoSi2N4 in three structural modifications called as α1 [Science, DOI: 10.1126/science.abb7023], α2 and α3 [Adv. Funct. Mater., DOI: 10.1002/adfm.202214050]. We showed that in the case of monolayers the difference in total energies is less than 0.1 eV between α1 and α3 phases, and less than 0.2 eV between α1 and α2 geometries. The most energetically favorable layer stacking for the bulk structures of each phase was investigated. All considered modifications are dynamically stable from a single layer to a bulk structure in energetically favorable stacking. Raman spectra for the monolayer, 2 layered and bulk structures were simulated and the vibrational analysis was performed. The main difference between in the obtained spectra is associated with the position of the strongest band which depends on the Mo-N bond length. According to the obtained data, we can conclude that Raman line at 348 cm–1 in the experimental spectra of MoSi2N4, can have more complex explanation then just Γ-point Raman-active vibration as was discussed before in [Science, DOI: 10.1126/science.abb7023].

Смотреть статью,
Scopus,
WOS
Держатели документа:
Emanuel Institute of Biochemical Physics of Russian Academy of Sciences, Moscow 119334, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center, KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia
Moscow Institute of Physics and Technology, Institutsky lane 9, Dolgoprudny, Moscow region, Russia

Доп.точки доступа:
Sukhanova, E. V.; Popov, Z. I.; Орешонков, Александр Сергеевич
}
Найти похожие
14.


    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.

WOS,
Scopus,
Читать в сети ИФ
Держатели документа:
LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
}
Найти похожие
15.


    Kagan, M. Y.
    Kohn-Luttinger superconductivity in monolayer and bilayer semimetals with the Dirac spectrum / M. Y. Kagan, V. A. Mitskan, M. M. Korovushkin // J. Exp. Theor. Phys. - 2014. - Vol. 119, Is. 6. - P. 1140-1149, DOI 10.1134/S1063776114120048. - Cited References:70. - This work was performed under the Program of the RAS Division ofPhysical Sciences (project no. II.3.1) and was supported financially bythe Russian Foundation for Basic Research (project nos. 14-02-00058 and14-02-31237) and by the President of the Russian Federation (grant no.MK-526.2013.2). One of the authors (M.M.K.) thanks the "Dynasty"foundation for financial support. . - ISSN 1063. - ISSN 1090-6509. -
РУБ Physics, Multidisciplinary
Рубрики:
FERMI-SURFACE
   REPULSIVE INTERACTIONS

   DOPED GRAPHENE

   HUBBARD-MODEL

Аннотация: The effect of Coulomb interaction in an ensemble of Dirac fermions on the formation of superconducting pairing in monolayer and bilayer doped graphene is studied using the Kohn-Luttinger mechanism disregarding the Van der Waals potential of the substrate and impurities. The electronic structure of graphene is described using the Shubin-Vonsovsky model taking into account the intratomic, interatomic, and interlayer (in the case of bilayer graphene) Coulomb interactions between electrons. The Cooper instability is determined by solving the Bethe-Saltpeter integral equation. The renormalized scattering amplitude is obtained with allowance for the Kohn-Luttinger polarization contributions up to the second order of perturbation theory in the Coulomb interaction. It plays the role of effective interaction in the Bethe-Salpeter integral equation. It is shown that the allowance for the Kohn-Luttinger renormalizations as well as intersite Coulomb interaction noticeably affects the competition between the superconducting phases with the f-wave and d + id-wave symmetries of the order parameter. It is demonstrated that the superconducting transition temperature for an idealized graphene bilayer with significant interlayer Coulomb interaction between electrons is noticeably higher than in the monolayer case.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ

Публикация на русском языке Каган, Максим Юрьевич. Сверхпроводимость Кона-Латтинжера в многослойном и бислойном полуметалле с дираковским спектром [Текст] / М. Ю. Каган, В. А. Мицкан, М. М. Коровушкин // Журн. эксперим. и теор. физ. : Наука, 2014. - Т. 146 Вып. 6. - С. 1301-1312

Держатели документа:
Russian Acad Sci, Kapitza Inst Phys Problems, Moscow 119334, Russia.
Natl Res Univ, Higher Sch Econ, Moscow 109028, Russia.
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia.
Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia.

Доп.точки доступа:
Mitskan, V. A.; Мицкан, Виталий Александрович; Korovushkin, M. M.; Коровушкин, Максим Михайлович; RAS Division of Physical Sciences [II.3.1]; Russian Foundation for BasicResearch [14-02-00058, 14-02-31237]; Russian Federation [MK-526.2013.2]; "Dynasty" foundation
}
Найти похожие
16.


   
    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)
}
Найти похожие
17.


   
    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.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ

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)
}
Найти похожие
18.


   
    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".

WOS,
Scopus,
Читать в сети ИФ
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
}
Найти похожие
19.


    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".

WOS,
Scopus,
Читать в сети ИФ
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
}
Найти похожие
20.


   
    Experimental results and theoretical model to describe angular dependence of light scattering by monolayer of nematic droplets / V. A. Loiko [et al.] // J. Quant. Spectrosc. Radiat. Transf. - 2016. - Vol. 178: Electromagnetic and light scattering by nonspherical particles XV: Celebrating 150 years of Maxwell's electromagnetics. - P. 263-268, DOI 10.1016/j.jqsrt.2015.10.024. - Cited References:25 . - ISSN 0022-4073. - ISSN 1879-1352
   Перевод заглавия: Экспериментальные результаты и теоретическая модель, описывающая угловую зависимость рассеяния света монослоем капель нематика
РУБ Optics + Spectroscopy
Рубрики:
Dispersed liquid-crystals
   Inhomogeneous boundary-conditions

   Films

   Transmittance

   Radiation

Кл.слова (ненормированные):
Polymer-dispersed liquid crystal film -- Liquid crystal droplet -- Director -- configuration -- Light scattering -- Monolayer of droplets
Аннотация: Light scattering by a monolayer of bipolar nematic droplets encapsulated in polymer film is examined both experimentally and theoretically. A method for the simulation of the angular distribution of scattered light is based on the anomalous diffraction and interference approximations taking into account the director configuration within liquid crystal droplets and their bipolar axes orientation. The director configuration in nematic droplets is calculated using the relaxation method of the free energy minimization. The characteristics of the sample, including distribution of droplet sizes and shape anisometry, are measured in details. The experimental results and theoretical data agree closely with each other. (C) 2015 Elsevier Ltd. All rights reserved.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ

Доп.точки доступа:
Loiko, V. A.; Krakhalev, M. N.; Крахалев, Михаил Николаевич; Konkolovich, A. V.; Prishchepa, O. O.; Прищепа, Оксана Олеговна; Miskevich, A. A.; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Conference on Electromagnetic and Light Scattering(15 ; June 21-26, 2015 ; Leipzig, Germany)
}
Найти похожие
 

Другие библиотеки

© Международная Ассоциация пользователей и разработчиков электронных библиотек и новых информационных технологий
(Ассоциация ЭБНИТ)