Персона: Гришаков, Константин Сергеевич
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Институт нанотехнологий в электронике, спинтронике и фотонике
Институт ИНТЭЛ занимается научной деятельностью и подготовкой специалистов в области исследования физических принципов, проектирования и разработки технологий создания компонентной базы электроники гражданского и специального назначения, а также построения современных приборов на её основе.
Наша основная цель – это создание и развитие научно-образовательного центра мирового уровня в области наноструктурных материалов и устройств электроники, спинтроники, фотоники, а также создание эффективной инновационной среды в области СВЧ-электронной и радиационно-стойкой компонентной базы, источников ТГц излучения, ионно-кластерных технологий материалов.
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Константин Сергеевич
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- ПубликацияТолько метаданныеCarbon vs silicon polyprismanes: a comparative study of metallic sp(3)-hybridized allotropes(2020) Maslov, M. M.; Grishakov, K. S.; Gimaldinova, M. A.; Katin, K. P.; Маслов, Михаил Михайлович; Гришаков, Константин Сергеевич; Гимальдинова, Маргарита Александровна; Катин, Константин ПетровичPolyprismanes are the special type of single-walled nanotubes with an extremely small cross-section in the form of a regular polygon. In the presented study, we considered carbon and silicon polyprismanes that are constructed from carbon and silicon five-, six-, seven- and eight-membered rings, respectively. By means of density functional theory using the periodic boundary conditions, the geometry and electronic characteristics of these tubes were investigated. The results obtained indicate that, with an increase in the effective diameter, carbon polyprismanes undergo an abrupt change in electronic properties, which can be described as a transition from the dielectric to the metallic state. The character of the energy spectrum, as well as the behavior of transmission function near the Fermi level, illustrate that at some critical diameter they begin to exhibit non-typical for the sp(3)-carbon systems metallic nature. In such a case, it has been found from the partial density of electronic states calculation that the overlapping of bands near the Fermi level is mainly due to the 2p state of carbon atoms. Unlike carbon analogs, silicon polyprismanes are metals for any considered diameter. The metallic properties of the silicon polyprismanes arise due to the 3p states of the silicon atoms. Unexpected properties endowed by the prismane morphology discover new prospects of application of carbon and silicon nanostructures as the basic elements of future electronics.
- ПубликацияТолько метаданныеSilicon rebirth: Ab initio prediction of metallic sp3-hybridized silicon allotropes(2020) Katin, K. P.; Grishakov, K. S.; Gimaldinova, M. A.; Maslov, M. M.; Катин, Константин Петрович; Гришаков, Константин Сергеевич; Гимальдинова, Маргарита Александровна; Маслов, Михаил Михайлович© 2019 Elsevier B.V.We report the prediction of metallic quasione-dimensional sp3-hybridized silicon allotropes in the form of prismanes. Silicon prismanes or polysilaprismanes are the silicon nanotubes of a special type constructed from the dehydrogenated molecules of cyclosilanes (silicon rings). By means of density functional theory, the electronic, geometry, energy, and some mechanical properties of these tubes are investigated. Our results show that silicon polyprismanes are thermodynamically stable compounds, and the character of the energy spectrum, as well as the behavior of transmission function near the Fermi level, illustrate that they exhibit non-typical for the silicon systems metallic nature. Moreover, the metallic state of polysilaprismanes is resistant to the mechanical stresses applied along their main axis. Unusual properties predicted in the presented study discover new prospects of application of silicon nanostructures as the basic elements of future micro- and nanoelectronics, as well as in energy, metrology, medical, and information technologies.
- ПубликацияТолько метаданныеKinetic stability of nitrogen cubane inside the fullerene cage: Molecular dynamics study(2020) Gimaldinova, M. A.; Katin, K. P.; Grishakov, K. S.; Maslov, M. M.; Гимальдинова, Маргарита Александровна; Катин, Константин Петрович; Гришаков, Константин Сергеевич; Маслов, Михаил МихайловичUsing tight-binding molecular dynamics simulations, we study kinetic stability of the nitrogen cubane inside the fullerene carbon cage. The main identified mechanism of N-8 decomposition is the N-N bond breaking with the further rapid "splitting" into the N-2 molecules that can form the strong covalent bonds with the inner surface of the fullerene cage. It is found that the fullerene cage significantly increases the stability of the N-8 cube, but its lifetime at room temperature is insufficient to observe the endohedral complex N-8@C-60 without the use of extreme temperature conditions. It can be synthesized and investigated only at cryogenic temperatures.
- ПубликацияТолько метаданныеStability and energy characteristics of extended nitrogen nanotubes: Density functional theory study(2019) Grishakov, K. S.; Katin, K. P.; Gimaldinova, M. A.; Maslov, M. М.; Гришаков, Константин Сергеевич; Катин, Константин Петрович; Гимальдинова, Маргарита Александровна; Маслов, Михаил Михайлович© 2019, Institute for Metals Superplasticity Problems of Russian Academy of Sciences. All rights reserved.We apply the density functional theory with B3LYP exchange-correlation energy functional and the basis set 6-31G(d) to investigate structural, energetic, and electronic properties and stability of extended armchair and zigzag nitrogen nanotubes with a length of ≈ 3 nm. The capping effect, as well as the passivation of nanotubes’ ends by hydrogen atoms and hydroxyl groups on their stability, are studied. According to our calculations, pristine nitrogen nanotubes are unstable. Both capping and passivation of the nanotube ends provide thermodynamic stability only for (3, 0) and (4, 0) zigzag nitrogen nanotubes. Moreover, the calculated frequency spectra of considered systems confirm their dynamic stability. We stress the fact that some extended nitrogen nanotubes are found to be stable under ambient conditions, i. e., in the absence of external factors such as pressure, spatial confinement, etc. The calculated HOMO-LUMO gaps for these stable extended systems are of the order of 4 eV, so they can be assigned to the class of insulators. It is shown that nitrogen nanotubes are able to store a large amount of energy and can be used as a basis for new high-energy-density materials. We expect that the all-nitrogen tubes with the longer effective length of similar chiralities are also should be stable.
- ПубликацияТолько метаданныеEffect of a Nitrogen Doping and a Mechanical Stress on the Adsorption Capacity of Graphdiene(2019) Prudkovskii, V. S.; Dolinskii, I. Y.; Grishakov, K. S.; Гришаков, Константин Сергеевич© 2019, Pleiades Publishing, Ltd. Abstract: The quantum chemical simulation of adsorption of atomic hydrogen on pristine and nitrogen-doped graphdienes has been performed. The preferential sites, adsorption on which is most energetically beneficial, are indicated. The nitrogen presence is shown to substantially increase the adsorption capacity of the sheet. A capacity of the nitrogen-doped graphdiene to be reversibly stretched by 4% under action of external mechanical stress is demonstrated. A mechanical stretching is found to enable the control of the adsorption properties of pristine and also doped graphdienes.
- ПубликацияТолько метаданные“Tubular” Lanthanum Hydride: A New Class of High-Temperature Superconducting Materials(2019) Degtyarenko, N. N.; Grishakov, K. S.; Mazur, E. A.; Дегтяренко, Николай Николаевич; Гришаков, Константин Сергеевич; Мазур, Евгений Андреевич© 2019, Pleiades Publishing, Inc.Quantum calculations within density functional theory have predicted a new structure of lanthanum hydride La2H24 that is dynamically stable up to pressures about 150 GPa. It is a semimetal and has a low symmetry of crystal lattice P1 ¯. An important feature of this structure is the existence of quasimolecular hydrogen chains, which leads to the presence of phonon frequencies of about 420 meV, exceeding the maximum vibration frequency of the metallic hydrogen Fddd phase (ω ~ 360 meV). These properties make it possible to expect a high superconducting transition temperature for lanthanum hydride La2H24.
- ПубликацияТолько метаданныеInterlayer Heat Conductivity and Thermal Stability of Distorted Bilayer Graphene(2021) Podlivaev, A. I.; Grishakov, K. S.; Katin, K. P.; Maslov, M. M.; Подливаев, Алексей Игоревич; Гришаков, Константин Сергеевич; Катин, Константин Петрович; Маслов, Михаил Михайлович© 2021, Pleiades Publishing, Inc.The nonorthogonal tight-binding potential is augmented by long-range terms needed for a correct description of the interlayer interaction in bilayer graphene. The molecular dynamics method is used to study the heat transfer between two distorted graphene layers, one of which is initially cooled down to 0 K, and the second one is heated up to 77−7000 K. The characteristic time of the heat transfer depending on the initial temperature of the heated layer and the distortion of the layers is determined. It is demonstrated that both factors significantly affect the intensity of interlayer heat transfer. It is found that, during the characteristic time of temperature equalization, thermally induced defects of various types, including melting, separation of the layers, and tangential shear of the heated layer, can appear in the system. It is shown that the formation of thermally induced defects can result in more than an order of magnitude increase in the rate of interlayer heat transfer.
- ПубликацияТолько метаданныеParametrization of a Microwave and the Noise Model of a Metamorphic 0.15 µm MHET InAlAs/InGaAs Transistor(2021) Gorelov, A. A.; Lokotko, V. V.; Kargin, N. I.; Vasilievsky, I. S.; Grishakov, K. S.; Ryzhuk, R. V.; Горелов, Андрей Алексеевич; Каргин, Николай Иванович; Васильевский, Иван Сергеевич; Гришаков, Константин Сергеевич; Рыжук, Роман Валериевич© 2021, Pleiades Publishing, Ltd.Abstract: AlGaAs MHEMT transistors are studied in the microwave frequency range with a gate length of 0.15 μm. It is found that the discrepancy between the experimental and theoretically calculated, within the model, S-parameters does not exceed 0.5% in the frequency range from 1 to 30 GHz. The static characteristics of the device are satisfactorily described by the indicated model in the voltage range of the runoff up to 2.5 V. For the analysis of the noise characteristics, the Fukui model is used. It is found that the influence of the parasitic drain capacitance and the values of the drain and source inductances do not significantly affect the noise characteristics of the transistor, and an increase in the parasitic capacitance and a decrease in the parasitic gate inductance can lead to a significant reduction in the high-frequency noise figure.
- ПубликацияТолько метаданныеComparison of traditional and fullerene-based adsorbents for extraction of 1,4-dioxane and 2-methyl-1,3-dioxolane from milk(2021) Kochaev, A. I.; Razavi, R.; Kaya, S.; Mogaddam, M. R. A.; Katin, K. P.; Grishakov, K. S.; Podlivaev, A. I.; Maslov, M. M.; Катин, Константин Петрович; Гришаков, Константин Сергеевич; Подливаев, Алексей Игоревич; Маслов, Михаил Михайлович© 2021, Institute for Metals Superplasticity Problems of Russian Academy of Sciences. All rights reserved.Using density functional methods, the results of the analysis of traditional adsorbents and adsorbents based on nanosized particles capable of trapping 1,4-dioxane and 2-methyl-1,3-dioxolane molecules in milk are presented. We considered the following interacting compounds: 1,4-dioxane — primary amine, 1,4-dioxane — secondary amine, 1,4-dioxane — fullerene C20, 1,4-dioxane—a fragment of the structure of activated carbon, 2-methyl-1,3-dioxolane—primary amine, 2-methyl-1,3-dioxolane— secondary amine, 2-methyl-1,3-dioxolane — fullerene C20, 2-methyl-1,3-dioxolane — a fragment of the structure of activated carbon. We determined the optimal configurations of the corresponding interacting structures, estimated their binding energies and chemical potentials. The highest binding energy was obtained for 1,4-dioxane adsorbed on C20 fullerene. At the same time, the energy gaps between the occupied HOMO and unoccupied LUMO molecular states were calculated, which makes it possible to characterize the reactivity and stability of molecules. Compounds of 1,4-dioxane and 2-methyl-1,3-dioxolane with amines have rather large gaps HOMO-LUMO. Using the concept of the electronic localization function, we found that a covalent bond is formed between 1,4-dioxane and C20 fullerene with a sufficiently high degree of electron localization in the bond region. In other cases, the value of the localization function indicates the absence of a chemical bond between the compounds. The proposed study gives recommendations on the adsorption of 1,4-dioxane and 2-methyl-1,3-dioxolane for further solid-phase microextraction, which will allow them to be found in milk by gas chromatography using a flame ionization detector.
- ПубликацияТолько метаданныеNumerical Optimization of Grating Coupler Parameters for InP-based Photonic Circuits(2019) Grishakov, K. S.; Kargin, N. I.; Гришаков, Константин Сергеевич; Каргин, Николай Иванович© 2019 IEEE.We have performed 2D finite-difference time-domain (FDTD) simulations of fiber to chip coupling. The experimental semiconductor structure of the waveguide based on In-GaAsP /InGaAIAs compounds was used in the calculations. This structure is intended for use in electro-optical modulators constructed according to the Mach-Zehnder scheme. Our numerical calculations showed that a simple uniform grating couplers have extremely low coupling efficiency of about 5% for InP-based waveguides. We performed a global optimization of the grating coupler parameters such as etch depth, thickness, period, angle of the grating in relation to the waveguide, etc. We demonstrated a maximal coupling efficiency of about 60% which can be further increased by optimizing a number of other parameters.