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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Eremkin E. V., Krasnov P. O., Gerasimov V. S., Agren H., Polyutov S. P.
Заглавие : A hybrid quantum–classical theory for predicting terahertz charge-transfer plasmons in metal nanoparticles on graphene
Колич.характеристики :13 с
Место публикации : J. Chem. Phys. - 2024. - Vol. 160, Is. 4. - Ст.044117. - ISSN 00219606 (ISSN), DOI 10.1063/5.0178247. - ISSN 10897690 (eISSN)
Примечания : Cited References: 61. - This study was funded by the Ministry of Science and High Education of Russian Federation, Project No. FSRZ-2023-0006. The calculations of CTPs in specific NP–graphene complexes were performed within the RSF Grant No. 23-12-20007 and the Krasnoyarsk Territorial Foundation for Support of Scientific and R & D Activities, Agreement No. 256. H. Ågren was supported by the Swedish Science Research Council on Contract No. 2022-03405
Аннотация: Metal nanoparticle (NP) complexes lying on a single-layer graphene surface are studied with a developed original hybrid quantum–classical theory using the Finite Element Method (FEM) that is computationally cheap. Our theory is based on the motivated assumption that the carrier charge density in the doped graphene does not vary significantly during the plasmon oscillations. Charge transfer plasmon (CTP) frequencies, eigenvectors, quality factors, energy loss in the NPs and in graphene, and the absorption power are aspects that are theoretically studied and numerically calculated. It is shown the CTP frequencies reside in the terahertz range and can be represented as a product of two factors: the Fermi level of graphene and the geometry of the NP complex. The energy losses in the NPs are predicted to be inversely dependent on the radius R of the nanoparticle, while the loss in graphene is proportional to R and the interparticle distance. The CTP quality factors are predicted to be in the range ~ 10 – 100. The absorption power under CTP excitation is proportional to the scalar product of the CTP dipole moment and the external electromagnetic field. The developed theory makes it possible to simulate different properties of CTPs 3–4 orders of magnitude faster compared to the original FEM or the finite-difference time domain method, providing possibilities for predicting the plasmonic properties of very large systems for different applications.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Filnov S. O., Estyunin D. A., Klimovskikh I. I., Estyunina T. P., Golyashov V. A., Tarasov A. S., Kosyrev N. N., Komarov V. A., Patrin G. S., Rybkina A. A., Vilkov O. Yu., Shikin A. M., Tereshchenko O. E., Chumakov R. G., Lebedev A. M., Rybkin A. G.
Заглавие : Room temperature ferromagnetism in graphene/SiC(0001) system intercalated by Fe and Co
Колич.характеристики :7 с
Место публикации : Phys. Status Solidi - Rapid Res. Lett. - 2024. - Vol. 18, Is. 3. - Ст.2300336. - ISSN 18626254 (ISSN), DOI 10.1002/pssr.202300336. - ISSN 18626270 (eISSN)
Примечания : Cited References: 76. - This research was funded by the Ministry of Science and Higher Education of the Russian Federation grant no. 075-15-2020-797 (13.1902.21.0024)
Аннотация: The utilization of graphene on silicon carbide (SiC) substrates holds substantial promise for advancements in spintronics and nanoelectronics. Furthermore, incorporating magnetic metals provides an optimal framework for probing fundamental physical phenomena. The approach to developing such systems is in situ intercalation of graphene with magnetic metals. Herein, the electronic structure is analyzed and the magnetic properties of the system are synthesized by the thermal decomposition of 6H-SiC(0001) surface and subsequent intercalation of graphene with cobalt (Co) and iron (Fe) atoms. X-ray photoemission spectroscopy and low-energy electron diffraction are employed to control the synthesis and metal intercalation processes. The morphological characteristics of the synthesized system are studied by means of atomic force microscopy. The findings derived from magneto-optic Kerr effect measurements reveal a homogeneous ferromagnetic ordering at room temperature. Angle-resolved photoemission spectroscopy is used to ascertain the impact of intercalation on graphene's electronic structure. The results of this study are essential for the development of graphene-based spintronics and nanoelectronic devices as well as for fundamental studies in magnetic graphene systems.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Huang, Cheng-Han, Wu, Chia-Hung, Bikbaev R. G., Ye, Ming-Jyun, Chen, Chi-Wen, Wang, Tung-Jung, Timofeev I. V., Lee, Wei, Chen, Kuo-Ping
Заглавие : Wavelength- and angle-selective photodetectors enabled by graphene hot electrons with Tamm plasmon polaritons
Место публикации : Nanomaterials. - 2023. - Vol. 13, Is. 4. - Ст.693. - ISSN 20794991 (eISSN), DOI 10.3390/nano13040693
Примечания : Cited References: 50. - This work is supported by the Higher Education Sprout Project of the National Yang Ming Chiao Tung University, National Tsing Hua University, Ministry of Education and the National Science and Technology Council (NSTC 110-2221-E-007-130-MY3; 109-2628-E-007-003-MY3; 111-2923-E-007-008-MY3; 111-2628-E-007-021; 111-2119-M-A49-006). This research was funded by the Russian Science Foundation (project no. 22-42-08003)
Аннотация: Recently, two-dimensional materials have attracted attention owing to their special optical characteristics and miniaturization, with low thickness as well as extremely high responsivity. Additionally, Tamm plasmon polariton (TPP) resonance can be observed by combining a metal film and a one-dimensional (1D) photonic crystal (PC), where an electric field confinement is located at the metal–1D PC interface. In this study, a graphene layer combined with a TPP is proposed as a wavelength- and angle-selective photodetector. The graphene layer is located where the strong field confinement occurs, and the photocurrent response is significantly enhanced with increasing absorption by over four times (from 62.5 μA⋅W−1 to 271 μA⋅W−1 and undetected state to 330 μA⋅W−1 in two different samples). Moreover, the graphene–TPP photodetector has wavelength and angle selectivity, which can be applied in LiDAR detecting, sun sensors, laser beacon tracking, and navigational instruments in the future.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kurilova A. V., Sokolov A. Е., Sukhachev A. L., Ivanova O. S., Bogdanov K. V., Baranov M. A., Dubavik A. Y.
Заглавие : Synthesizing antiferromagnetic α-Fe2O3–rGO discs: Their magnetic and magneto-optical properties
Место публикации : Bull. Russ. Acad. Sci. Phys. - 2022. - Vol. 86, Is. 5. - P.610-613. - ISSN 10628738 (ISSN), DOI 10.3103/S106287382205015X
Примечания : Cited References: 26
Аннотация: A comprehensive study is performed of the properties of hybrid structures of iron oxide and reduced graphene oxide α-Fe2O3/rGO synthesized via “wet mixing.” It is shown that hematite nanoparticles with a comparatively uniform distribution can be encapsulated in graphene layers, and the way of preparing precursors is of critical importance in shaping the magneto-optical properties of α-Fe2O3/rGO hybrid structures.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Begunovich L. V., Kuklin A. V., Visotin M. A., Kuzubov A. A., Tomilin F. N., Tarasov A. S., Mikhalev Y. G., Avramov P. V.
Заглавие : Triple VTe2/graphene/VTe2 heterostructures as perspective magnetic tunnel junctions
Место публикации : Appl. Surf. Sci. - 2020. - Vol. 510. - Ст.145315. - ISSN 01694332 (ISSN), DOI 10.1016/j.apsusc.2020.145315
Примечания : 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 )
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.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuklin A. V., Kuzubov A. A., Kovaleva E. A., Lee, Hyosun, Sorokin, Pavel B., Sakai, Seiji, Entani, Shiro, Naramoto, Hiroshi, Avramov P. V.
Заглавие : The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces
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 [14-13-00139]
Место публикации : J. Magn. Magn. Mater.: Elsevier Science, 2017. - Vol. 440: EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA). - P.23-29. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2016.12.096. - ISSN 1873-4766(eISSN)
Примечания : Cited References:70. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Joint Supercomputer Center of RAS, Moscow and the ICC of Novosibirsk State University for providing the computing resources. Russian Science Foundation (Grant No 14-13-00139) supported the work of Russian team.
Предметные рубрики: HEXAGONAL BORON-NITRIDE
THIN-FILMS
GIANT MAGNETORESISTANCE
METALLIC
Ключевые слова (''Своб.индексиров.''): graphene nanoribbons--dft--lsmo thin films--induced spin polarization--h-bn nanoribbons--half-metal
Аннотация: Induced spin polarization of π-conjugated carbon and h-BN low dimensional fragments at the interfaces formed by deposition of pentacene molecule and narrow zigzag graphene and h-BN nanoribbons on MnO2-terminated LSMO(001) thin film was studied using GGA PBE+U PAW D3-corrected approach. Induced spin polarization of π-conjugated low-dimensional fragments is caused by direct exchange with Mn ions of LSMO(001) MnO-derived surface. Due to direct exchange, the pentacene molecule changes its diamagnetic narrow-band gap semiconducting nature to the ferromagnetic semiconducting state with 0.15 eV energy shift between spin-up and spin-down valence bands and total magnetic moment of 0.11 μB. Direct exchange converts graphene nanoribbon to 100% spin-polarized half-metal with large amplitude of spin-up electronic density at the Fermi level. The direct exchange narrows the h-BN nanoribbon band gap from 4.04 to 1.72 eV in spin-up channel and converts the h-BN ribbon semiconducting diamagnetic nature to a semiconducting magnetic one. The electronic structure calculations demonstrate a possibility to control the spin properties of low-dimensional π-conjugated carbon and h-BN fragments by direct exchange with MnO-derived LSMO(001) surface for spin-related applications.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhaleva N. S., Visotin M. A., Kuzubov A. A., Popov Z. I.
Заглавие : VS2/7graphene heterostructures as promising anode material for Li-ion batteries
Место публикации : J. Phys. Chem. C. - 2017. - Vol. 121, Is. 43. - P.24179-24184. - ISSN 19327447 (ISSN), DOI 10.1021/acs.jpcc.7b07630
Примечания : Cited References: 64. - This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1455.2017/PCh). N. S. M. acknowledges the financial support of the RFBR, through the research project No. 16- 32-60003 mol-a-dk. M. A. V. acknowledges the financial support of the RFBR, through the research project No. 16-32- 00252 mol-a. Z. I. P. gratefully acknowledges the financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST MISiS (No. K2-2017-001) and the support of the RFBR through the research project No. 17-42- 190308 r-a.
Аннотация: Two-layer freestanding heterostructure consisting of VS2 monolayer and graphene was investigated by means of density functional theory computations as a promising anode material for lithium-ion batteries (LIB). We have investigated lithium atoms’ sorption and diffusion on the surface and in the interface layer of VS2/graphene heterostructure with both H and T configurations of VS2 monolayer. The theoretically predicted capacity of VS2/graphene heterostructures is high (569 mAh/g), and the diffusion barriers are considerably lower for the heterostructures than for bulk VS2, so that they are comparable to barriers in graphitic LIB anodes (∼0.2 eV). Our results suggest that VS2/graphene heterostructures can be used as a promising anode material for lithium-ion batteries with high power density and fast charge/discharge rates.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Kuzubov A. A., Visotin M. A., Tomilin F. N.
Заглавие : New method for calculations of nanostructure kinetic stability at high temperature
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН , Russian Foundation for Basic Research [N15-02-06869A]; President of Russia Scientific School Program [NSh 7559.2016.2]
Место публикации : J. Magn. Magn. Mater.: Elsevier Science, 2017. - Vol. 440: EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA). - P.167-170. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2016.12.131. - ISSN 1873-4766(eISSN)
Примечания : Cited References:8. - The work was supported by the Russian Foundation for Basic Research Grant N15-02-06869A and by President of Russia Scientific School Program NSh 7559.2016.2. The authors would like to thank Joint Supercomputer Center of RAS, Moscow, for the access to the MVS 100K cluster and Institute of Computational Modelling of SB RAS, Krasnoyarsk, for providing the computational resources.
Предметные рубрики: AUGMENTED-WAVE METHOD
Ключевые слова (''Своб.индексиров.''): kinetic stability--nanostructures--graphene nanoribbons
Аннотация: A new universal method is developed for determination of nanostructure kinetic stability (KS) at high temperatures, when nanostructures can be destroyed by chemical bonds breaking due to atom thermal vibrations. The method is based on calculation of probability for any bond in the structure to stretch more than a limit value L-max, when the bond breaks. Assuming the number of vibrations is very large and all of them are independent, using the central limit theorem, an expression for the probability of a given bond elongation up to L-max is derived in order to determine the KS. It is shown that this expression leads to the effective Arrhenius formula, but unlike the standard transition state theory it allows one to find the contributions of different vibrations to a chemical bond cleavage. To determine the KS, only calculation of frequencies and eigenvectors of vibrational modes in the groundstate of the nanostructure is needed, while the transition states need not be found. The suggested method was tested on calculating KS of bonds in some alkanes, octene isomers and narrow graphene nanoribbons of different types and widths at the temperature T=1200 K. The probability of breaking of the C-C bond in the center of these hydrocarbons is found to be significantly higher than at the ends of the molecules. It is also shown that the KS of the octene isomers decreases when the double C=C bond is moved to the end of the molecule, which agrees well with the experimental data. The KS of the narrowest graphene nanoribbons of different types varies by 1-2 orders of magnitude depending on the width and structure, while all of them are by several orders of magnitude less stable at high temperature than the hydrocarbons and benzene.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Kuzubov A. A., Kuklin A. V., Lee H., Kovaleva E. A., Sakai S., Entani S., Naramoto H., Sorokin P. B.
Заглавие : Theoretical investigation of the interfaces and mechanisms of induced spin polarization of 1D narrow zigzag graphene- and h-BN nanoribbons on a SrO-terminated LSMO(001) surface
Коллективы : Ministry of Education and Science of the Russian Federation [K2-2015-033]; Russian Science Foundation [14-13-00139]; Japanese Science Foundation (JSPS KAKENHI) [16H3875]
Место публикации : J. Phys. Chem. A: American Chemical Society, 2017. - Vol. 121, Is. 3. - P.680-689. - ISSN 1089-5639, DOI 10.1021/acs.jpca.6b09696
Примечания : Cited References:74. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Joint Supercomputer Center of RAS, Moscow; and the ICC of Novosibirsk State University for providing the computing resources. P.B.S. acknowledges the financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST MISiS (No. K2-2015-033). The Russian Science Foundation (Grant No 14-13-00139) supported the work of the Russian team. The Japanese Science Foundation (JSPS KAKENHI, Grant No 16H3875) supported the work of the Japanese team.
Предметные рубрики: HEXAGONAL BORON-NITRIDE
AUGMENTED-WAVE METHOD
GIANT MAGNETORESISTANCE
Аннотация: The structure of the interfaces and the mechanisms of induced spin polarization of 1D infinite and finite narrow graphene- and h-BN zigzag nanoribbons placed on a SrO-terminated La1-xSrxMnO3 (LSMO) (001) surface were studied using density functional theory (DFT) electronic structure calculations. It was found that the pi-conjugated nanofragments are bonded to the LSMO(001) surface by weak disperse interactions. The types of coordination of the fragments, the strength of bonding, and the rate of spin polarization depend upon the nature of the fragments. Infinite and finite graphene narrow zigzag nanoribbons are characterized by the lift of the spin degeneracy and strong spin polarization caused by interface-induced structural asymmetry and oxygen-mediated indirect exchange interactions with Mn ions of LSMO support. Spin polarization changes the semiconducting nature of infinite graphene nanoribbons to half-metallic state with visible spin-up density of states at the Fermi level. The h-BN nanoribbon binding energy is weaker than graphene nanoribbon ones with noticeably shorter interlayer distance. The asymmetry effect and indirect exchange interactions cause spin polarization of h-BN nanoribbon as well with formation of embedded states inside the band gap. The results show a possibility to use one-atom thick nanofragments to design LSMO-based heterostructures for spintronic nanodevices with h-BN as an inert spacer to develop different potential barriers.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuklin A. V., Kuzubov A. A., Kovaleva E. A., Mikhaleva N. S., Tomilin F. N., Lee H., Avramov P. V.
Заглавие : Two-dimensional hexagonal CrN with promising magnetic and optical properties: A theoretical prediction
Место публикации : Nanoscale: Royal Society of Chemistry, 2017. - Vol. 9, Is. 2. - P.621-630. - ISSN 20403364 (ISSN), DOI 10.1039/c6nr07790k
Примечания : Cited References: 76. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Institute of Computational Modeling of SB RAS, Krasnoyarsk; the Joint Supercomputer Center of RAS, Moscow; and the ICC of Novosibirsk State University for providing the computing resources. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K). P. V. A. acknowledges the Kyungpook National University Research Fund, 2014. N. S. M. acknowledges the Russian Foundation for Basic Research (RFBR 16-32-60003 mol_a_dk).
Ключевые слова (''Своб.индексиров.''): boron nitride--calculations--energy gap--ferromagnetic materials--ferromagnetism--graphene--magnetism--metals--transition metals--transparency--dielectric functions--ferromagnetic orderings--first-principles calculation--half-metallic properties--magnetic and optical properties--optical transparency--spintronics application--transition metal dichalcogenides--optical properties
Аннотация: Half-metallic ferromagnetic materials with planar forms are promising for spintronics applications. A wide range of 2D lattices like graphene, h-BN, transition metal dichalcogenides, etc. are non-magnetic or weakly magnetic. Using first principles calculations, the existence of graphene-like hexagonal chromium nitride (h-CrN) with an almost flat atomically thin structure is predicted. We find that freestanding h-CrN has a 100% spin-polarized half-metallic nature with possible ferromagnetic ordering and a high rate of optical transparency. As a possible method for stabilization and synthesis, deposition of h-CrN on 2D MoSe2 or on MoS2 is proposed. The formation of composites retains the half-metallic properties and leads to the reduction of spin-down band gaps to 1.43 and 1.71 eV for energetically favorable h-CrN/MoSe2 and h-CrN/MoS2 configurations, respectively. Calculation of the dielectric functions of h-CrN, h-CrN/MoSe2 and h-CrN/MoS2 exhibit the high transparency of all three low-dimensional nanomaterials. The honeycomb CrN may be considered as a promising fundamental 2D material for a variety of potential applications of critical importance. © The Royal Society of Chemistry 2017.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chernov A. I., Fedotov P. V., Krylov A. S., Vtyurin A. N., Obraztsova E. D.
Заглавие : Heat-induced transformations in coronene - Single-walled carbon nanotube systems
Коллективы : International Workshop on Nanocarbon Photonics and Optoelectronics (4th; 28 July - 1 August, 2014; Polvijärvi, North Karelia, Finland)
Место публикации : J. Nanophoton.: SPIE-Int. Soc. Optical Engineering, 2016. - Vol. 10, Is. 1: Special Section on Nanocarbon Photonics and Optoelectronics. - Ст.012504. - ISSN 19342608 (ISSN), DOI 10.1117/1.JNP.10.012504
Примечания : Cited References: 14
Предметные рубрики: Graphene nanoribbons
Encapsulation
Reactor
Ключевые слова (''Своб.индексиров.''): graphene nanoribbons--coronene molecules--coronene stacks--columns--single-walled carbon nanotubes--nanoreactor
Аннотация: Coronene molecules are used as filler for single-walled carbon nanotubes. Variation of the synthesis temperature regimes leads to formation of different types of carbon nanostructures inside the nanotubes. Accurate determination of the structures by optical spectroscopy methods remains an important issue in composite materials. Clear distinction between adsorbed organic molecules on the surface of the tubes and filled structures may be accessed by Raman and photoluminescence spectroscopies. We perform additional heat treatment after the initial synthesis procedure and show the evolution of the optical spectral features corresponding to the filled structures and adsorbed materials on the surface of single-walled carbon nanotubes. © 2015 Society of Photo-Optical Instrumentation Engineers (SPIE).
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Avramov P. V., Nikolaeva K. M., Mikhaleva N. S., Kovaleva E. A., Kuklin A. V., Fedorov A. S.
Заглавие : Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry
Место публикации : Comput. Mater. Sci.: Elsevier, 2016. - Vol. 112, Part A. - P.269-275. - ISSN 0927-0256, DOI 10.1016/j.commatsci.2015.11.002
Примечания : Cited References: 39. - The authors would like to thank Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; and L.V. Kirensky Institute of Physics of SB RAS, Krasnoyarsk, for providing the access to their supercomputers. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K).
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
MASSLESS DIRAC FERMIONS
GRAPHENE
VACANCIES
POINTS
GAS
Ключевые слова (''Своб.индексиров.''): bigraphene--spintronics--transition metal--adsorption--migration
Аннотация: First-row transition metal atoms adsorption on bigraphene monovacancy was studied within the framework of DFT in periodic boundary conditions. Electronic and magnetic properties of composites were analyzed and their potential utilization in spintronics was discussed. Barriers of metal atoms migration from bigraphene surface to the interlayer space through the vacancy were estimated in order to consider both thermodynamic and kinetic aspects of composites experimental preparation. Formation of metal atoms inner-sorbed on bigraphene was found to demand harsh synthesis conditions; whereas outer-sorbed composites demonstrate significantly higher degree of spin polarization which makes them perspective for usage in spintronic devices. © 2015 Elsevier B.V.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Voronin A. S., Ivanchenko F. S., Simunin M. M., Shiverskiy A. V., Aleksandrovsky A. S., Nemtsev I. V., Fadeev Y. V., Karpova D. V., Khartov S. V.
Заглавие : High performance hybrid rGO/ Ag quasi-periodic mesh transparent electrodes for flexible electrochromic devices
Место публикации : Appl. Surf. Sci.: Elsevier Science, 2016. - Vol. 364. - P.931–937. - ISSN 0169-4332, DOI 10.1016/j.apsusc.2015.12.182. - ISSN 1873-5584
Примечания : Cited References: 31
Предметные рубрики: NANOWIRE NETWORKS
GRAPHENE FILMS
OXIDE
OXIDATION
HEATERS
Ключевые слова (''Своб.индексиров.''): quasi-periodic mesh transparent electrode self-organized template--reduced graphene oxide (rgo)--flexible electrochromic device
Аннотация: A possibility of creating a stable hybrid coating based on the hybrid of a reduced graphene oxide (rGO)/ Ag quasi-periodic mesh (q-mesh) coating has been demonstrated. The main advantages of the suggested method are the low cost of the processes and the technology scalability. The Ag q-mesh coating is formed by means of the magnetron sputtering of silver on the original template obtained as a result of quasi-periodic cracking of a silica film. The protective rGO film is formed by low temperature reduction of a graphene oxide (GO) film, applied by the spray-deposition in the solution of NaBH4. The coatings have low sheet resistance (12.3 Ω/sq) and high optical transparency (82.2%). The hybrid coating are characterized by high chemical stability, as well as they show high stability to deformation impacts. High performance of the hybrid coatings as electrodes in the sandwich-system «electrode – electrochromic composition – electrode» has been demonstrated. The hybrid electrodes allow the electrochromic sandwich to function without any visible degradation for a long time, while an unprotected mesh electrode does not allow performing even a single switching cycle.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kagan M. Y., Mitskan V. A., Korovushkin M. M.
Заглавие : High-Tc and Low-Tc superconductivity in electron systems with repulsion
Коллективы : Russian Foundation for Basic Research [14-02-00058, 14-02-31237]; Basic Research Program of the National Research University Higher School of Economics; Dynasty foundation; [SP-1361.2015.1]
Место публикации : J. Supercond. Nov. Magn.: Springer, 2016. - Vol. 29, Is. 4. - P.1043-1048. - ISSN 1557-1939, DOI 10.1007/s10948-016-3384-7. - ISSN 1557-1947(eISSN)
Примечания : Cited References:31. - The authors are grateful to V. V. Val'kov, I. S. Burmistrov, M. V. Feigel'man, and A. Ya. Tzalenchuk for valuable remarks. This work is supported by the Russian Foundation for Basic Research (nos. 14-02-00058 and 14-02-31237). One of the authors (M. Yu. K.) gratefully acknowledges support from the Basic Research Program of the National Research University Higher School of Economics. Another one (M. M. K.) thanks the scholarship SP-1361.2015.1 of the President of Russia and the Dynasty foundation.
Предметные рубрики: Fermion systems
Doped graphene
Hubbard-model
Phase-diagram
Superfluidity
Density
Ключевые слова (''Своб.индексиров.''): unconventional superconductivity--kohn-luttinger mechanism--graphene
Аннотация: We demonstrate the instability of the normal state of purely repulsive fermionic systems towards the transition to the Kohn-Luttinger superconducting state. We construct the superconducting phase diagrams of these systems in the framework of the Hubbard and Shubin-Vonsovsky models on the square and hexagonal lattices. We show that an account for the long-range Coulomb interactions, as well as the Kohn- Luttinger renormalizations, lead to an increase in the critical superconducting temperatures in various materials, such as high-temperature superconductors, idealized monolayer, and bilayer of doped graphene. Additionally, we discuss the role of the structural disorder and the nonmagnetic impurities in superconducting properties of real graphene systems.
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15.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kuklin A. V., Kuzubov A. A., Fedorov A. S., Avramov P. V.
Заглавие : Spin polarization of zgnr4/lsmo(001) heterostructures: mno-terminated spinterface
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016): abstracts/ ed.: O. A. Maksimova, R. D. Ivantsov. - Krasnoyarsk: KIP RAS SB, 2016. - Ст.P10.28. - P.496. - ISBN 978-5-904603-06-9 (Шифр -478014040)
Примечания : References: 3
Ключевые слова (''Своб.индексиров.''): lsmo--zigzag graphene nanoribbons--dft--spin polarization--zgnr
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kagan M.Yu., Mitskan V. A., Korovushkin M. M.
Заглавие : Effect of the long-range Coulomb interaction on the phase diagram of the Kohn–Luttinger superconducting state in Idealized graphene
Место публикации : J. Low Temp. Phys.: Springer/Plenum Publishers, 2015. - Vol. - P.1-7. - ISSN 0022, DOI 10.1007/s10909-015-1427-2. - ISSN 15737357(eISSN)
Ключевые слова (''Своб.индексиров.''): unconventional superconductivity--kohn-luttinger mechanism--graphene monolayer
Аннотация: The effect of the long-range Coulomb interaction on the formation of the Kohn–Luttinger superconductivity in monolayer doped graphene is studied disregarding the Van der Waals potential of the substrate and both magnetic and non-magnetic impurities. It is shown that the allowance for the Kohn–Luttinger renormalizations up to the second order in perturbation theory in the on-site Hubbard interaction inclusively, as well as in the intersite Coulomb interaction, significantly affects the interplay between the superconducting phases with the f-wave, p+ip-wave, and d+id-wave symmetries of the order parameter. It is demonstrated that taking Coulomb repulsion of electrons located at the next-nearest neighboring atoms in such a system into account changes qualitatively the phase diagram and enhances the critical temperature of the transition to the superconducting phase.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pudlak M., Pichugin K. N., Nazmitdinov R. G.
Заглавие : Cooperative phenomenon in a rippled graphene: Chiral spin guide
Коллективы : Russian Foundation for Basic Research [14-02-00723]; Vedecka Grantova Agentura MSVVaS SR a SAV [2/0037/13]
Место публикации : Phys. Rev. B: American Physical Society, 2015. - Vol. 92, Is. 20. - Ст.205432. - ISSN 1098-0121, DOI 10.1103/PhysRevB.92.205432. - ISSN 1550-235X(eISSN)
Примечания : Cited References:24. - M.P. and K.N.P. are grateful for the warm hospitality and creative atmosphere at UIB and JINR. This work was supported in part by Russian Foundation for Basic Research Grant No. 14-02-00723 and Vedecka Grantova Agentura MSVVaS SR a SAV (2/0037/13).
Предметные рубрики: CARBON NANOTUBES
Аннотация: We analyze spin scattering in ballistic transport of electrons through a ripple at a normal incidence of an electron flow. The model of a ripple consists of a curved graphene surface in the form of an arc of a circle connected from the left-hand and right-hand sides to two flat graphene sheets. At certain conditions the curvature-induced spin-orbit coupling creates a transparent window for incoming electrons with one spin polarization simultaneously with a backscattering of those with opposite polarization. This window is equally likely transparent for electrons with spin up and spin down that move in opposite directions. The spin-filtering effect that is small in one ripple becomes prominent with the increase of N consequently connected ripples that create a graphene sheet of the sinusoidal type. We present the analytical expressions for spin-up and spin-down transmission probabilities as a function of N connected ripples.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kagan M. Y., Mitskan V. A., Korovushkin M. M.
Заглавие : Anomalous superconductivity and superfluidity in repulsive fermion systems
Место публикации : Phys. Usp.: Turpion, 2015. - Vol. 58, Is. 8. - P.733-761. - ISSN 10637869 (ISSN), DOI 10.3367/UFNe.0185.201508a.0785
Примечания : Cited References: 369. - We are grateful to M A Baranov, A V Chubukov, D V Efremov, M V Feigel'man, V V Kabanov, K I Kugel', M S Marienko, N M Plakida, N V Prokorev, A Ya Tzalenchuk, and V V Val'kov for the fruitful discussions and constant attention to our work. The work was supported by the Russian Foundation for Basic Research (project nos. 14-02-00058 and 14-02-31237). M Yu K thanks the Program of Basic Research of the National Research University Higher School of Economics for support. The work of MM K was supported by grant of the President of the Russian Federation (SP-1361.2015.1) and the Dinasty Foundation
Предметные рубрики: HEXAGONAL BORON-NITRIDE
SCANNING-TUNNELING-MICROSCOPY
2-DIMENSIONAL HUBBARD-MODEL
HIGH-TC SUPERCONDUCTIVITY
ELECTRON-ENERGY SPECTRUM
P-WAVE SUPERCONDUCTIVITY
DOUBLE-LAYER GRAPHENE
2D KONDO-LATTICE
GROUND-STATE
TRANSITION-TEMPERATURE
Ключевые слова (''Своб.индексиров.''): anomalous superconductivity--kohn-luttinger mechanism--superfluidity--repulsive fermi gas--hubbard and t-jmodel--shubin vonsovsky model--graphene monolayer--graphene bilayer
Аннотация: We discuss the mechanisms of unconventional superconductivity and superfluidity in 3D and 2D fermionic systems with purely repulsive interaction at low densities. We construct phase diagrams of these systems and find the areas of the superconducting state in free space, as well as on the lattice in the framework of the Fermi-gas model with hard-core repulsion, the Hubbard model, the Shubin-Vonsovsky model, and the t-J model. We demonstrate that the critical superconducting temperature can be greatly increased in the spin-polarized case or in a two-band situation already at low densities. The proposed theory is based on the Kohn-Luttinger mechanism or its generalizations and explains or predicts anomalous p-, d-, and f-wave pairing in various materials, such as high-temperature superconductors, the idealized monolayer and bilayer of doped graphene, heavy-fermion systems, layered organic superconductors, superfluid 3He, spin-polarized 3He mixtures in 4He, ultracold quantum gases in magnetic traps, and optical lattices.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kagan M. Y., Mitskan V. A., Korovushkin M. M.
Заглавие : Phase diagram of the Kohn-Luttinger superconducting state for bilayer graphene
Место публикации : Eur. Phys. J. B: Springer, 2015. - Vol. 88, Is. 6. - Ст.157. - ISSN 1434, DOI 10.1140/epjb/e2015-60198-x. - ISSN 14346036(eISSN)
Примечания : Cited References:60. - The authors are grateful to V.V. Val'kov for valuable remarks. This work is supported by the Russian Foundation for Basic Research (Projects Nos. 14-02-00058 and 14-02-31237). One of the authors (M.Yu.K.) gratefully acknowledges support from the Basic Research Program of the National Research University Higher School of Economics. Another one (M.M.K.) thanks the scholarship SP-1361.2015.1 of the President of the Russian Federation and the Dynasty foundation.
Предметные рубрики: REPULSIVE INTERACTIONS
DOPED GRAPHENE
HUBBARD-MODEL
FERMI-SURFACE
Аннотация: The effect of Coulomb interaction between Dirac fermions on the formation of the Kohn-Luttinger superconducting state in bilayer doped graphene is studied disregarding of the effect of the van der Waals potential of the substrate and impurities. The phase diagram determining the boundaries of superconductive domains with different types of symmetry of the order parameter is built using the extended Hubbard model in the Born weak-coupling approximation with allowance for the intratomic, interatomic, and interlayer Coulomb interactions between electrons. It is shown that the Kohn-Luttinger polarization contributions up to the second order of perturbation theory in the Coulomb interaction inclusively and an account for the long-range intraplane Coulomb interactions significantly affect the competition between the superconducting phases with the f-, p + ip-, and d + id-wave symmetries of the order parameter. It is demonstrated that the account for the interlayer Coulomb interaction enhances the critical temperature of the transition to the superconducting phase.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Kuzubov A. A., Sakai S., Entani S., Naramoto H., Eliseeva N. S.
Заглавие : Spin states of 2D nanocomposites of Ni and V nanoclusters on hexagonal h-BN, BC3 and graphene
Коллективы : Russian Scientific Foundation [14-13-00139]
Место публикации : J. Mater. Sci. Technol. - 2015. - Vol. 31, Is. 10. - P.979-985. - ISSN 1005-0302, DOI 10.1016/j.jmst.2015.08.008
Примечания : Cited References:21. - The work of Russian team was supported by Russian Scientific Foundation (Grant No. 14-13-00139). P.V.A. acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration.
Предметные рубрики: BORON-NITRIDE
FILMS
Ключевые слова (''Своб.индексиров.''): electronic structure--metal nanostructure--nanocomposites--graphene--h-bn--bc3--spin states
Аннотация: Atomic and electronic structures of adsorbed nickel and vanadium atoms and nanoclusters (Ni-n and V-n, n = 1-10) on hexagonal h-BN and BC3 lattices were studied using DFT PBE/PBC/PW (Perdew-Burke-Ernzerhof potential of density functional theory/periodic boundary conditions/plane wave basis set) technique. For the sake of comparison the structure and properties of the same nanoclusters deposited on pristine graphene were calculated as well. It was found that for all types of supports an increase of n from 1 to 10 leaded to decrease of coordination types from eta(6) to eta(2) and eta(1). The h-BN- and BC3-based nanocomposites were characterized by high (up to 18 mu for Ni10/BC3) magnetic moments of the nanoclusters and featured by positive binding energies. The graphene-based nanocomposites revealed energetic stability and, in general, lower magnetic moments per unit cell. The direct potential energy barriers for migration of Ni eta(2)/eta(2) and eta(6)/eta(6) types of dimers on graphene were low (10.9-28.9 kJ/mol) with high reverse barriers for eta(6)/eta(6) dimers, which favored dynamically equilibrated Ni clusterization on graphene. Copyright (C) 2015, The editorial office of Journal of Materials Science & Technology. Published by Elsevier Limited. All rights reserved.
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