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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Krasnov P. O., Kozhevnikov T. A., Popov M. A.
Заглавие : Calculation of the energy of binding of titanium and scandium complexes to the surface of carbon nanotubes
Коллективы : Analytical departmental program "Development of Higher Education Potential" [2.1.1/2584]; Russian Foundation for Basic Research [09-02-00324-a]
Место публикации : Russ. J. Phys. Chem. B. - 2009. - Vol. 3, Is. 4. - P.679-683. - ISSN 1990-7931, DOI 10.1134/S1990793109040289
Примечания : Cited References: 27. - This work was supported by the analytical departmental program "Development of Higher Education Potential (2009-2100)" (grant 2.1.1/2584) and by the Russian Foundation for Basic Research, project no. 09-02-00324-a.
Предметные рубрики: MOLECULAR-HYDROGEN COMPLEXES
STORAGE
TEMPERATURE
TRANSITION
DYNAMICS
METALS
Аннотация: Complexes of zigzag-type carbon nanotubes (CNTs) with transition metal atoms, scandium and titanium, were studied. It was demonstrated that the energy of binding of both atoms with a carbon surface decreases whereas the rate of diffusion along the surface increases with increasing nanotube diameter. The rate constant of migration of scandium atoms over a CNT surface are several orders of magnitude higher than that for titanium atoms, because the CNT surface-Sc atom binding energy is substantially lower.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bulgakov E. N., Rotter I.
Заглавие : Spectroscopic properties of large open quantum-chaotic cavities with and without separated time scales
Место публикации : Phys. Rev. E: AMER PHYSICAL SOC, 2006. - Vol. 73, Is. 6. - Ст.66222. - ISSN 1539-3755, DOI 10.1103/PhysRevE.73.066222
Примечания : Cited References: 24
Предметные рубрики: HELMHOLTZ EQUATION
SYSTEMS
DYNAMICS
STATES
TRANSMISSION
BILLIARDS
Ключевые слова (''Своб.индексиров.''): hamiltonians--numerical analysis--phase control--quantum theory--spectroscopic analysis--wave transmission--bunimovich cavity--hamiltonian formalism--phase rigidity--quantum-chaotic cavities--cavity resonators
Аннотация: The spectroscopic properties of an open large Bunimovich cavity are studied numerically in the framework of the effective Hamiltonian formalism. The cavity is opened by attaching two leads to it in four different ways. In some cases, the transmission takes place via standing waves with an intensity that closely follows the profile of the resonances. In other cases, short-lived and long-lived resonance states coexist. The short-lived states cause traveling waves in the transmission while the long-lived ones generate superposed fluctuations. The traveling waves oscillate as a function of energy. They are not localized in the interior of the large chaotic cavity. In all considered cases, the phase rigidity fluctuates with energy. It is mostly near to its maximum value and agrees well with the theoretical value for the two-channel case.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zobov V. E.
Заглавие : On the short duration limit for the correlation-functions of 2 distant spins at high-temperatures
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz. - 1991. - Vol. 99, Is. 3. - P.809-815. - ISSN 0044-4510
Примечания : Cited References: 15
Предметные рубрики: DYNAMICS
Аннотация: The first term in the expansion in powers of time is found for the correlation function of two spins separated by a large distance in the case of an anisotropic Heisenberg paramagnet.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bulgakov E. N., Sadreev A. F.
Заглавие : Spin polarized bound states in the continuum in open Aharonov-Bohm rings with the Rashba spin-orbit interaction
Коллективы : Russian Science Foundation [14-12-00266]
Место публикации : J. Phys.: Condens. Matter: IOP Publishing, 2016. - Vol. 28, Is. 26. - Ст.265301. - ISSN 0953-8984, DOI 10.1088/0953-8984/28/26/265301. - ISSN 1361-648X(eISSN)
Примечания : Cited References:59. - This work has been supported by Russian Science Foundation through grant 14-12-00266. We acknowledge discussions with D N Maksimov and K N Pichugin.
Предметные рубрики: Degenerate states
Nuclear reactions
Unified theory
Quantum
Transport
Dynamics
Decay
Ключевые слова (''Своб.индексиров.''): aharonov-bohm ring--rashba spin-orbit interaction--bound states in the continuum
Аннотация: We consider the trapping of electrons with a definite spin polarization by bound states in the continuum (BSC) in the open Aharonov-Bohm rings in the presence of the Rashba spin-orbit interaction (RSOI). Neglecting the Zeeman term we show the existence of BSCs in the one-dimensional ring when the eigenstates of the closed ring are doubly degenerate. With account of the Zeeman term BSCs occur only at the points of threefold degeneracy. The BSCs are found in the parametric space of flux and RSOI strength in close pairs with opposite spin polarization. Thereby the spin polarization of electrons transmitted through the ring can be altered by minor variation of magnetic or electric field at the vicinity of these pairs. Numerical simulations of the two-dimensional open ring show similar results for the BSCs. Encircling the BSC points in the parametric space of the flux and the RSOI constant gives rise to a geometric phase.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Averyanov E. M.
Заглавие : Orientation ordering and critical behavior of discoid nematics
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz.: MEZHDUNARODNAYA KNIGA, 1996. - Vol. 110, Is. 5. - P1820-1840. - ISSN 0044-4510
Примечания : Cited References: 55
Предметные рубрики: LIQUID-CRYSTALS
PHASE-TRANSITION
ISOTROPIC-PHASE
LOCAL FIELD
SMECTIC-A
MOLECULES
SUSCEPTIBILITY
CONFORMATION
PARAMETER
DYNAMICS
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Berman G. P., Campbell D. K., Tsifrinovich V. I.
Заглавие : Error correction for a spin quantum computer
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 1997. - Vol. 55, Is. 9. - P5929-5936. - ISSN 0163-1829, DOI 10.1103/PhysRevB.55.5929
Примечания : Cited References: 26
Предметные рубрики: SYSTEMS
COMPUTATION
UNIVERSAL
DYNAMICS
LOGIC
Аннотация: The problems of error correction in a spin quantum computer are discussed. For digital processing in the Ising and Heisenberg chains driven by a resonant electromagnetic field, the simple schemes are suggested which provide correction of errors caused by imperfect pi pulses, and prevent the most significant errors caused by the nonresonant action of rr pulses. The probability of error caused by the Heisenberg interaction during the action of rr pulses is estimated. For quantum computations in spin systems a principal opportunity to correct the phase errors, based on Steane's three quantum-bits scheme, is described.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zobov V. E., Popov M. A.
Заглавие : On the radius of convergence of series in powers of time for spin correlation functions of the Heisenberg magnet at high temperature
Место публикации : Theor. Math. Phys.: PLENUM PUBL CORP, 1997. - Vol. 112, Is. 3. - P1182-1191. - ISSN 0040-5779, DOI 10.1007/BF02583049
Примечания : Cited References: 22
Предметные рубрики: AUTO-CORRELATION FUNCTION
INFINITE-TEMPERATURE
PARAMAGNET
DYNAMICS
MODEL
Аннотация: The convergence of series in powers of time for spin autocorrelation functions of the Heisenberg magnet are investigated at infinite temperatures on lattices of different dimensions d. The calculation data available at the present time for the coefficients of these series are used to estimate the corresponding radii of convergence, whose growth with decreasing d is revealed and explained in a self-consistent approximation. To this end, a simplified nonlinear equation corresponding to this approximation is suggested and solved for the autocorrelation function of a system with an arbitrary number Z of nearest neighbors. The coefficients of the expansion in powers of time for the solution are represented in the form of trees on the Bethe lattice with the coordination number Z. A computer simulation method is applied to calculate the expansion coefficients for trees embedded in square, triangular, and simple cubic lattices under the condition that the intersection of tree branches is forbidden. It is found that the excluded volume effect that manifests itself in a decrease in these coefficients and in an increase in the coordinate and exponent of the singularity of the autocorrelation function on the imaginary time axis is intensified with decreasing lattice dimensions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zobov V. E., Lundin A. A.
Заглавие : Second moment of multiple-quantum NMR and a time-dependent growth of the number of multispin correlations in solids
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2006. - Vol. 103, Is. 6. - P904-916. - ISSN 1063-7761, DOI 10.1134/S1063776106120089
Примечания : Cited References: 39
Предметные рубрики: NUCLEAR-MAGNETIC-RESONANCE
LINE-SHAPE
SPIN SYSTEMS
DYNAMICS
SPECTRA
COHERENCES
STATE
BEHAVIOR
CRYSTAL
MODEL
Ключевые слова (''Своб.индексиров.''): correlation methods--mathematical models--nuclear magnetic resonance spectroscopy--spectrum analysis--time series analysis--four-spin time correlation--multispin correlations--second moment--time power series--quantum theory
Аннотация: The time evolution of multispin correlations (the growth of the number of correlated spins as a function of time) can be observed directly using the multiple-quantum nuclear magnetic resonance spectroscopy of solids. A quantity related to this number, namely, the second moment n(2)(t) of the intensity distribution of coherences of different orders in the multiple-quantum spectrum can be calculated using the theory proposed in this work. An approach to the calculation of the four-spin time correlation function through which this moment is expressed is developed. The main sequences of contributions in the expansion of this function into a time power series are summed using the approximation of a large number of neighbors both for systems with a secular dipole-dipole interaction and for systems with a nonsecular effective interaction. An exponential dependence of n(2)(t) is obtained. The value of n(2)(t) is additionally calculated using an expansion in terms of orthogonal operators for three model examples corresponding to different limiting realizations of spin systems. It is shown that the results of the microscopic theory at least qualitatively agree with both the results obtained for model examples and experimental results obtained recently for adamantane.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sadreev A. F., Bulgakov E. N., Rotter I.
Заглавие : Bound states in the continuum in open quantum billiards with a variable shape
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2006. - Vol. 73, Is. 23. - Ст.235342. - ISSN 1098-0121, DOI 10.1103/PhysRevB.73.235342
Примечания : Cited References: 24
Предметные рубрики: TRANSMISSION
RESONANCES
ELECTRON
DYNAMICS
Аннотация: We show the existence of bound states in the continuum (BICs) in quantum billiards (QBs) that are opened by attaching single-channel leads to them. They may be observed by varying an external parameter continuously, e.g., the shape of the QB. At some values of the parameter, resonance states with vanishing decay width (the BICs) occur. They are localized almost completely in the interior of the closed system. The phenomenon is shown analytically to exist in the simplest case of a two level QB and is complemented by numerical calculations for a real QB.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Frank A. M.
Заглавие : Shear driven solitary waves on a liquid film
Место публикации : Phys. Rev. E: AMERICAN PHYSICAL SOC, 2006. - Vol. 74, Is. 6. - Ст.65301. - ISSN 1539-3755, DOI 10.1103/PhysRevE.74.065301
Примечания : Cited References: 21
Предметные рубрики: INCLINED CHANNEL
FLOWS
DYNAMICS
STABILITY
Ключевые слова (''Своб.индексиров.''): gravity waves--laminar flow--navier stokes equations--reynolds number--shear waves--liquid films--solitary waves--traveling waves--wave amplitudes--thin films
Аннотация: Long nonlinear two-dimensional traveling waves on a film driven by laminar gas flow are investigated numerically via solving Navier-Stokes equations. The evolution of their shape, amplitude, and speed with increasing Reynolds number is studied. The existence of solitary waves is demonstrated. A comparison between shear driven and gravity-capillary waves is made and discussed. It is shown that shear driven waves as compared to gravity driven waves are much higher for equal film Reynolds numbers and much slower for equal wave amplitudes.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zobov V. E., Lundin A. A.
Заглавие : Reversible and Irreversible propagation of quantum information and its manifestation in multiple-quantum NMR spectra in solids
Коллективы : Ministry of Science and Higher Education of the Russian Federation [0082-2019-0001, AAAA-A19-119012890064-7]
Место публикации : J. Exp. Theor. Phys. - 2020. - Vol. 131, Is. 2. - P.273-279. - ISSN 1063-7761, DOI 10.1134/S1063776120060096. - ISSN 1090-6509(eISSN)
Примечания : Cited References: 33. - This work was supported by the Ministry of Science and Higher Education of the Russian Federation within the State Task 0082-2019-0001 (State Registration Number AAAA-A19-119012890064-7)
Предметные рубрики: DYNAMICS
LOCALIZATION
SIMULATIONS
COHERENCES
Аннотация: On the basis of the earlier developed statistical theory of the growth of the effective size of correlated clusters (the number of correlated spins), an expression for the shape of the multiple-quantum (MQ) NMR spectrum is obtained that takes into account the loss of coherence in a spin system due, for example, to the controlled intervention of the experimenter. It is shown that the scrambling and decoherence processes in the MQ spectrum of the multiparticle system of a solid are not separated, unlike the corresponding spectra of some large isolated molecules [27] in a solution. The relations obtained allow one to extract the necessary information about the above processes (scrambling and decoherence) from the dependence of the MQ spectra on experimental parameters.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shi, Xin, Wu, Yong, Wang, Jian Guo, Kimberg V., Zhang, Song Bin
Заглавие : X-ray transient absorption spectroscopy by an ultrashort x-ray-laser pulse in a continuous-wave IR field
Место публикации : Phys. Rev. A. - 2020. - Vol. 101, Is. 2. - Ст.023401. - ISSN 2469-9926, DOI 10.1103/PhysRevA.101.023401. - ISSN 2469-9934(eISSN)
Примечания : Cited References: 56. - Grants from the National Basic Research Program of China (Grant No. 2017YFA0403200), National Natural Science Foundation of China (Grants No. 11604197, No. 11934004, and No. 11974230), the Science Challenge Program of China (Grants No. TZ2018005 and No. TZ2016005), and the Organization Department of CCCPC are acknowledged. V.K. acknowledges financial support from Swedish Research Council within the State Contract of the Ministry of Education and Science of the Russian Federation for Siberian Federal University for Scientific Research in 2017-2019 (Project No. 3.2662.2017)
Предметные рубрики: MOLECULAR NITROGEN
TIME
DYNAMICS
PHASE
SPECTRA
DECAY
Аннотация: X-ray transient absorption spectra (XTAS) of molecules are theoretically investigated in a femtosecond x-ray pump and continuous-wave (cw) infrared (IR)-control scenario. The scheme is exemplified by a CO molecule resonantly pumped into carbon and oxygen core-excited 1s→π∗ states by a weak femtosecond x-ray pulse, while dynamic Stark shifts are induced by the cw IR-control radiation. As a result, significant shoulder structures appear in XTAS showing strong dependence on the phase of IR radiation relative to the envelope of the x-ray pulse. Due to a significant difference in the frequencies of the two pulses, the present XTAS scheme provides much clear interpretation of the dynamic Stark effects as compared to the attosecond UV transient absorption scenario. Within the suggested two-level model, where the total spectrum is decomposed as incoherent superposition of contributions from different vibrational excitations weighted by the Franck-Condon Factors, all spectral structures can be well identified and interpreted in a good agreement with the full-scale molecular simulations. Well-characterized XTAS in the proposed IR-control scheme can be applied for fine phase synchronization between IR and x-ray pulses, highly demanded in modern experiments on x-ray free-electron lasers.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Liu, Yan Rong, Wu, Yong, Wang, Jian Guo, Vendrell, Oriol, Kimberg V., Zhang, Song Bin
Заглавие : Electron-rotation coupling in diatomics under strong-field excitation
Место публикации : Phys. Rev. A. - 2020. - Vol. 102, Is. 3. - Ст.033114. - ISSN 2469-9926, DOI 10.1103/PhysRevA.102.033114. - ISSN 2469-9934(eISSN)
Примечания : Cited References: 78. - S.B.Z. thanks H. D. Meyer for his helpful instructions of Wigner-DVR in MCTDH. Grants from the National Basic Research Program of China (2017YFA0403200), NSFC (No. 11604197, No. 11974230, and No. 11934004), the Science Challenge Program of China (TZ2018005 and TZ2016005) are acknowledged. V.K. acknowledges financial support from Swedish Research Council (VR) and the Ministry of Science and High Education of Russian Federation, Project No. FSRZ2020-0008.
Предметные рубрики: REAL-TIME OBSERVATION
DYNAMICS
LASER
ULTRAFAST
MOLECULES
Аннотация: he photoexcitation and photodissociation of diatomic molecules by intense pulse lasers has been the subject of extensive investigations over the past decades. However, the usually employed theoretical framework neglects the coupling between the molecular rotational angular momentum (R) and the angular momentum of the electrons projected onto the molecular axis Ω=Λ+Σ, which results in the known Λ-doubling phenomenon in high-resolution electronic spectra of diatomic molecules. While neglecting this coupling is an excellent approximation in the weak-field or perturbative regime owing to the large mass difference between the rotating atoms and the electrons, the approximation breaks down for intense laser pulses because of the repeated Rabi cycling of the electronic transitions, which can have a significant effect on the rotational degrees of freedom of the molecule. By correcting the transition dipole matrix elements and introducing angular basis sets based on Wigner D functions, the conventional theoretical treatment is generalized to a universal description valid for both the weak- and strong-field regimes. The theoretical treatment developed here is applied to the ∣1Σ› to ∣1Π› transitions in diatomic systems. Our results reveal that, for field intensities resulting in about one Rabi cycling for extreme ultraviolet or x-ray transitions, the theoretical predictions by the conventional theoretical frame need to be corrected when considering observables such as the molecular alignment and the angular distribution of the photofragments.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov V. A., Rudenko, Roman Yu, Prokopenko, Vladimir S., Orlova, Irina N.
Заглавие : Features in the resonance behavior of magnetization in arrays of triangular and square nanodots
Коллективы : Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [20-02-00696]
Место публикации : J. Sib. Fed. Univ. Math. Phys. - 2021. - Vol. 14, Is. 5. - P.611-623. - ISSN 1997-1397, DOI 10.17516/1997-1397-2021-14-5-611-623; Журн. СФУ. Матем. и физика. - ISSN 2313-6022(eISSN)
Примечания : Cited References: 23. - This study was supported by the Russian Foundation for Basic Research, project no. 20-02-00696
Предметные рубрики: VORTEX STATE
DYNAMICS
MOTION
EXCITATIONS
Аннотация: Collective modes of the gyrotropic motion of a magnetic vortex core in ordered arrays of triangular and square ferromagnetic film nanodots have been theoretically investigated. The dispersion relations have been derived. The dipole-dipole interaction of the magnetic moments of the magnetic vortex cores of elements has been taken into account in the approximation of a small shift from the equilibrium position. It is shown that the effective rigidity of the magnetic subsystem of triangular elements is noticeably higher than that of the subsystem of square elements of the same linear sizes. The potential application of the polygonal film nanodisks as nanoscalpels for noninvasive tumor cell surgery is discussed.Теоретически исследуются коллективные моды гиротропного движения ядра магнитного вихря в упорядоченных массивах ферромагнитных пленочных наноточек треугольной и квадратной форм. Получены дисперсионные соотношения. Учитывается диполь-дипольное взаимодействие магнитных моментов ядер магнитных вихрей элементов в приближении малого смещения от положения равновесия. Показано, что эффективная жесткость магнитной подсистемы в треугольных элементах заметно больше, чем в квадратных при одинаковых линейных размерах. Обсуждается перспектива использования пленочных нанодисков-многоугольников в качестве "наноскальпелей" для неинвазивной клеточной хирургии опухолей.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Паршин, Александр Михайлович
Заглавие : Отклик гибридно-упорядоченного нематика с поверхностной линией дисклинации на импульс магнитного поля
Место публикации : Жидк. кристаллы и их практич. использ. - 2021. - Т. 21, № 3. - С. 60-67. - ISSN 1991-3966 (ISSN), DOI 10.18083/LCAppl.2021.3.60; Liq. Cryst. Appl. - ISSN 2499-9644 (eISSN)
Примечания : Библиогр.: 23
Предметные рубрики: LIQUID-CRYSTAL
DOMAIN-STRUCTURE
INTERFERENCE
DYNAMICS
BEHAVIOR
FILM
Аннотация: Исследовано оптическое пропускание гибридно-упорядоченного нематического слоя с поверхностной линией дисклинации, деформированного импульсным магнитным полем. Получены выражения для времен реакции на полевое воздействие и релаксации жидкого кристалла к недеформированному состоянию. Время реакции оказалось существенно больше расчетного значения и сопоставимым с длительностью импульса магнитного поля. Выведены зависимости интенсивности света от разности фаз между обыкновенным и необыкновенным лучами с учетом рассеяния. Для процесса релаксации получено хорошее совпадение экспериментальной и расчетной временных зависимостей интенсивности лазерного излучения, прошедшего через весь слой жидкого кристалла, за исключением тонкого переходного приповерхностного слоя. Аномалия хода кривой релаксации в переходном слое рассмотрена в рамках известных модельных представлений.The optical transmission of a hybrid-ordered nematic layer with a surface disclination line, strained by a pulsed magnetic field, is studied. The expressions for the reaction times to the field action and relaxation of a liquid crystal to an untrained state are obtained. The experimental reaction time turned out to be significantly longer than its calculated value and comparable to the magnetic field pulse duration. The light intensity dependences on the phase difference between the ordinary and extraordinary rays, taking into account scattering are derived. For the relaxation process, good agreement is obtained between the experimental and calculated time dependences of the laser radiation intensity transmitted through the entire liquid crystal layer, with the exception of a thin transitional near-surface layer. The anomaly in the course of the relaxation curve run in the transition layer is considered within the framework of the known model concepts.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Kuzubov A. A., Kholtobina A. S., Kovaleva E. A., Knaup J., Irle S.
Заглавие : Theoretical investigation of molecular and electronic structures of buckminsterfullerene-silicon quantum dot systems
Место публикации : J. Phys. Chem. A: American Chemical Society, 2016. - Vol. 120, Is. 49. - P.9767-9775. - ISSN 1089-5639, DOI 10.1021/acs.jpca.6b06959
Примечания : Cited References:20. - The work was supported by Ministry of Education and Science of Russia (Russian-Japanese joined project, Agreement 14.613.21.0010, ID RFMEFI61314X0010). We are grateful to the Joint Supercomputer Center of Russian Academy of Sciences, Moscow and Siberian Supercomputer Center of SB RAS, Novosibirsk for the opportunity to use their computer clusters to perform the calculations. S.I. acknowledges partial support from a JST CREST grant.
Предметные рубрики: Si
NANOPARTICLES
DYNAMICS
Аннотация: Density functional theory (DFT) and density functional tight binding (DFTB) molecular dynamics Density functional theory (DFT) and density functional tight binding (DFTB) molecular dynamics (DFTB/MD) simulations of embedding and relaxation of buckminsterfullerene C60 molecules chemisorbed on (001) and (111) surfaces and inside bulk silicon lattice were performed. DFT calculations of chemisorbed fullerenes on both surfaces show that the C60 molecule deformation was very small and the C60 binding energies were roughly ∼4 eV. The charge analysis shows that the C60 molecule charges on (001) and (111) surfaces were between −2 and −3.5 electrons, respectively, that correlates well with the number of C–Si bonds linking the fullerene molecule and the silicon surface. DFT calculations of the C60 molecule inside bulk silicon confirm that the C60 molecule remains stable with the deformation energy values of between 11 and 15 eV for geometries with different C60 configurations. The formation of some C–Si bonds causes local silicon amorphization and corresponding electronic charge uptake on the embedded fullerene cages. Charge analysis confirms that a single C60 molecule can accept up to 20 excessive electrons that can be used in practice, wherein the main charge contribution is located on the fullerene’s carbon atoms bonded to silicon atoms. These DFT calculations correlate well with DFTB/MD simulations of the embedding process. In this process, the C60 molecule was placed on the top of the Si(111) surface, and it was further exposed by a stream of silicon dimers, resulting in subsequent overgrowth by silicon.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lundin A. A., Zobov V. E.
Заглавие : Decoherence-induced stabilization of the multiple-quantum NMR-spectrum width
Место публикации : Appl. Magn. Reson.: Springer, 2016. - Vol. 47, Is. 7. - P.701-710. - ISSN 0937-9347, DOI 10.1007/s00723-016-0770-z. - ISSN 1613-7507(eISSN)
Примечания : Cited References:26
Предметные рубрики: SIMULATIONS
DYNAMICS
SYSTEMS
SOLIDS
Аннотация: The time dependence of an increase in the number of correlated spins in cluster was calculated for a particular variant of multiple-quantum (MQ) nuclear magnetic resonance spectroscopy using an effective two-quantum Hamiltonian that includes conventional secular nuclear dipole-dipole interaction as a weak perturbation at the stage of correlation preparation. It was shown that the cluster size grows steadily, while the width of the MQ spectrum stabilizes because the decay rates of the spectral components located at different areas of the MQ spectrum are different. The MQ bandwidth was also calculated as a function of the preparation time for various perturbation strengths. The results obtained are in excellent agreement with the experimental data reported in Alvarez and Suter (Phys Rev A 84:012320, 2011).
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kim P. D., Orlov V. A., Rudenko R. Y., Prokopenko V. S., Orlova I. N., Kobyakov A. V.
Заглавие : On the resonant state of magnetization in array of interacting nanodots
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН , Russian Science Foundation [14-15-00805]; Russian Foundation for Basic Research (RFBR) [16-32-00103]
Место публикации : J. Magn. Magn. Mater.: Elsevier Science, 2017. - Vol. 440. - P.171-174. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2016.12.125. - ISSN 1873-4766(eISSN)
Примечания : Cited References:35. - Authors are grateful to V. Ya. Prints for help in preparing dot arrays. Sections 3 and 4 of the work was supported by the Russian Science Foundation, project no. 14-15-00805. Section 2 of the work was supported by Russian Foundation for Basic Research (RFBR) project no. 16-32-00103.
Предметные рубрики: VORTEX
DYNAMICS
VORTICES
Ключевые слова (''Своб.индексиров.''): nanodots--magnetization--dispersion law--tiel's equation
Аннотация: Development of the interpretation of the phenomenon of the lift of the magnetic resonance frequencies degeneracy caused by the magnetostatic interaction in assemblies of nanodisks has been done. The difference of the resonance behavior of magnetic vortexes in a round and rectangular nanodots has been studied experimentally and explained.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Larionov K. V., Popov Z. I., Vysotin M. A., Kvashnin D. G., Sorokin P. B.
Заглавие : Study of the new two-dimensional compound CoC
Коллективы : Russian Science Foundation [17-72-20223]; Ministry of Education and Science of the Russian Federation [14.Y26.31.0005]; Joint Supercomputer Center, Russian Academy of Sciences
Место публикации : JETP Letters. - 2018. - Vol. 108, Is. 1. - P.13-17. - ISSN 0021-3640, DOI 10.1134/S0021364018130106. - ISSN 1090-6487(eISSN)
Примечания : Cited References: 24. - We are grateful to Prof. Gotthard Seifert, Prof. B.P. Sorokin, and Prof. L.A. Chernozatonskii for the discussion of the results. This work was supported by the Russian Science Foundation (project no. 17-72-20223). The calculations were performed with the use of resources of the Computer Cluster, Materials Modeling and Development Laboratory, National University of Science and Technology MISiS (supported by the Ministry of Education and Science of the Russian Federation, project no. 14.Y26.31.0005), and the Joint Supercomputer Center, Russian Academy of Sciences.
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
WAVE BASIS-SET
AB-INITIO
DYNAMICS
Аннотация: A novel quasi-two-dimensional monolayer structure with orthorhombic symmetry based on cobalt carbide, o-CoC, has been considered. This structure supplements a recently discovered family of quasi-two-dimensional compounds based on transition metals. The dynamic stability of a monolayer has been demonstrated. Its mechanical and electronic characteristics have been studied.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zobov V. E., Kucherov M. M.
Заглавие : On the effect of an inhomogeneous magnetic field on high-frequency asymptotic behaviors of correlation functions of spin lattices
Место публикации : JETP Letters. - 2018. - Vol. 107, Is. 9. - P.553-557. - ISSN 0021-3640, DOI 10.1134/S002136401809014X. - ISSN 1090-6487(eISSN)
Примечания : Cited References: 39
Предметные рубрики: HEISENBERG PARAMAGNET
SYSTEMS
TIME
RELAXATION
DYNAMICS
SPECTRA
Аннотация: Singular points of spin autocorrelation functions on the imaginary time axis, which determine the arguments of exponential high-frequency asymptotic behaviors, have been analyzed. It has been shown that randomly distributed inhomogeneous magnetic fields expand the wings of spectra of autocorrelation functions and, thereby, intensify the heating of a system subjected to variable magnetic fields, which are used to create effective Hamiltonians or at the saturation of inhomogeneously broadened EPR lines.
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