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Competing magnetic states in silicene and germanene 2D ferromagnets / D. V. Averyanov, I. S. Sokolov, M. S. Platunov [et al.] // Nano Res. - 2020. - Vol. 13, Is. 12. - P. 3396-3402, DOI 10.1007/s12274-020-3027-y. - Cited References: 58. - This work was supported by National Research Center (NRC) "Kurchatov Institute" (No. 1359, characterization) and the Russian Science Foundation (No. 19-19-00009 (synthesis) and No. 20-79-10028 (magnetization measurements)). D. V. A. also acknowledges support from the President's scholarship (SP 1398.2019.5). The measurements have been carried out using equipment of the resource centers of electrophysical and electron microscopy techniques in NRC "Kurchatov Institute" . - ISSN 1998-0124. - ISSN 1998-0000

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science,
Рубрики:
RAY CIRCULAR-DICHROISM
ABSORPTION
Кл.слова (ненормированные):
silicene -- germanene -- 2D ferromagnetism -- X-ray magnetic circular dichroism (XMCD) -- monolayer
Аннотация: Two-dimension (2D) magnets have recently developed into a class of stoichiometric materials with prospective applications in ultra-compact spintronics and quantum computing. Their functionality is particularly rich when different magnetic orders are competing in the same material. Metalloxenes REX2 (RE = Eu, Gd; X = Si, Ge), silicene or germanene — heavy counterparts of graphene — coupled with a layer of rare-earth metals, evolve from three-dimension (3D) antiferromagnets in multilayer structures to 2D ferromagnets in a few monolayers. This evolution, however, does not lead to fully saturated 2D ferromagnetism, pointing at a possibility of coexisting/competing magnetic states. Here, REX2 magnetism is explored with element-selective X-ray magnetic circular dichroism (XMCD). The measurements are carried out for GdSi2, EuSi2, GdGe2, and EuGe2 of different thicknesses down to 1 monolayer employing K absorption edges of Si and Ge as well as M and L edges of the rare-earths. They access the magnetic state in REX2 and determine the seat of magnetism, orbital, and spin contributions to the magnetic moment. High-field measurements probe remnants of the bulk antiferromagnetism in 2D REX2. The results provide a new platform for studies of complex magnetic structures in 2D materials.

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Держатели документа:
Natl Res Ctr Kurchatov Inst, Kurchatov Sq 1, Moscow 123182, Russia.
ESRF European Synchrotron, CS 40220, F-38043 Grenoble 9, France.
ALBA Synchrotron Light Source, Barcelona 08290, Spain.
LOrme Merisiers, Synchrotron SOLEIL, F-91192 Gyf Sur Yvette, France.
RAS, Kirensky Inst Phys, Fed Res Ctr KSC SB, Akad Gorodok 50,Bld 38, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Averyanov, D. V.; Sokolov, Ivan S.; Platunov, M. S.; Платунов, Михаил Сергеевич; Wilhelm, Fabrice; Rogalev, Andrei; Gargiani, Pierluigi; Valvidares, Manuel; Jaouen, Nicolas; Parfenov, Oleg E.; Taldenkov, Alexander N.; Karateev, Igor A.; Tokmachev, Andrey M.; Storchak, V. G.
}
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    Electro-optical response of a monolayer polymer dispersed nematic liquid crystal film doped with surfactant / V. A. Loiko, A. V. Konkolovich, A. A. Misckevich [et al.] // Liquid crystal polymer nanocomposites / ed.: P. M. Visakh [et al.] : Elsevier, 2022. - Chap. 7. - P. 163-211. - (Woodhead publishing in materials), DOI https://doi.org/10.1016/B978-0-12-822128-0.00006-6. - References: 86 . - ISBN 978-0-12-822128-0
   Перевод заглавия: Электро-оптический отклик монослоя нематического жидкого кристалла, допированного сурфактантом, диспергированного в полимере
Аннотация: Light scattering and transmission by a monolayer polymer dispersed liquid crystal film containing liquid crystal droplets with inhomogeneous anchoring of liquid crystal molecules at the polymer-droplet interface is considered theoretically and experimentally. The developed optical model is based on the anomalous diffraction and interference approximations of the theory of scattering of waves. It is applied to describe the interference quenching effect for the coherently transmitted light and electrically controllable symmetry breaking effect in small-angle structure of light scattered by film containing droplets with inhomogeneous anchoring. The analysis of transmittance and reflectance of the one-dimensional photonic crystals composed of monolayers is carried out. The formation of the photonic band gaps is analyzed.

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Доп.точки доступа:
Visakh, P. M. \ed.\; Semkin, Artem \ed.\; Özdemir, Zeynep Güven \ed.\; Loiko, V. A.; Konkolovich, A. V.; Misckevich, A. A.; Мискевич А. А.; Krakhalev, M. N.; Крахалев, Михаил Николаевич; Prishchepa, O. O.; Прищепа, Оксана Олеговна; Shabanov, A. V.; Шабанов, Александр Васильевич; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич
}
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Small-angle light scattering by monolayer of liquid crystal droplets in polymer matrix / V. A. Loiko [et al.] // Atti della Accademia Peloritana dei Pericolanti, Classe di Scienze Fisiche, Matematiche e Naturali. - 2011. - Т. 89, №SUPPL. 1, DOI 10.1478/C1V89S1P059 . - ISSN 0365-0359. - ISSN 1825-1242

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

Доп.точки доступа:
Loiko, V. A.; Konkolovich, A. V.; Miskevich, A. A.; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Maschke, U.
}
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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.

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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.
}
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Interference quenching of light transmitted through a monolayer film of polymer-dispersed nematic liquid crystal / A. V. Konkolovich [et al.] // JETP Letters. - 2000. - Vol. 71, Is. 12. - P. 486-488. - Cited References: 8 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary

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

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

Доп.точки доступа:
Konkolovich, A. V.; Presnyakov, V. V.; Zyryanov, V. Y.; Зырянов, Виктор Яковлевич; Loiko, V. A.; Shabanov, V. F.; Шабанов, Василий Филиппович
}
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    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)
}
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    Tikhonova, L. V.
    Effect of the additional Se layer on the electronic structure of iron-based superconductor FeSe/SrTiO3 / L. V. Tikhonova, M. M. Korshunov // J. Supercond. Novel Magn. - 2020. - Vol. 33, Is. 1. - P. 171-176, DOI 10.1007/s10948-019-05253-y. - Cited References: 70. - This work was supported in part by “BASIS” Foundation for Development of Theoretical Physics and Mathematics. . - ISSN 1557-1939
   Перевод заглавия: Влияние дополнительного слоя селена на электронную структуру сверхпроводника на основе железа FeSe/SrTiO3
Кл.слова (ненормированные):
Fe-based superconductors -- Monolayer FeSe -- SrTiO3 -- Density functional theory
Аннотация: We use density functional theory to study the structure and the band structure of the monolayer FeSe deposited on the SrTiO3 substrate with the additional layer of Se between them. The top of the SrTiO3 is formed by the double TiOx layer with and without oxygen vacancies. Several structures with different arrangements of the additional Se atoms above the double TiOx layer are considered. Equilibrium structures were found, and the band structures for them were obtained. Near the Γ = (0,0,0) point of the Brillouin zone, the hole Fermi surface pockets persist and, additionally, an electron pocket appears. Thus, neither the presence of the additional Se layer nor the oxygen vacancies in the double TiOx layer lead to the sinking of hole bands below the Fermi level near the Γ point. The necessity to include the strong electronic correlations into account is discussed.

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Держатели документа:
Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович
}
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    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.

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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
}
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Electronic structure and minimal models for flat and corrugated CuO monolayers: An ab initio study / A. A. Slobodchikov, I. A. Nekrasov, L. V. Begunovich [et al.] // Materials. - 2023. - Vol. 16, Is. 2. - Ст. 658, DOI 10.3390/ma16020658. - Cited References: 24. - This research was in part funded by the Russian Science Foundation grant number 23-22-00372 . - ISSN 1996-1944
Кл.слова (ненормированные):
CuO monolayer -- band structure -- DFT -- minimal orbital model -- Wannier functions projections
Аннотация: CuO atomic thin monolayer (mlCuO) was synthesized recently. Interest in the mlCuO is based on its close relation to CuO2 layers in typical high temperature cuprate superconductors. Here, we present the calculation of the band structure, the density of states and the Fermi surface of the flat mlCuO as well as the corrugated mlCuO within the density functional theory (DFT) in the generalized gradient approximation (GGA). In the flat mlCuO, the Cu-3dx2−y2 band crosses the Fermi level, while the Cu-3dxz,yz hybridized band is located just below it. The corrugation leads to a significant shift of the Cu-3dxz,yz hybridized band down in energy and a degeneracy lifting for the Cu-3dx2−y2 bands. Corrugated mlCuO is more energetically favorable than the flat one. In addition, we compared the electronic structure of the considered CuO monolayers with bulk CuO systems. We also investigated the influence of a crystal lattice strain (which might occur on some interfaces) on the electronic structure of both mlCuO and determined the critical strains of topological Lifshitz transitions. Finally, we proposed a number of different minimal models for the flat and the corrugated mlCuO using projections onto different Wannier functions basis sets and obtained the corresponding Hamiltonian matrix elements in a real space.

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Держатели документа:
Institute of Electrophysics, Russian Academy of Sciences, Ural Branch, 620016 Yekaterinburg, Russia
Federal Research Center KSC SB RAS, Akademgorodok, 660036 Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Slobodchikov, Anatoly A.; Nekrasov, Igor A.; Begunovich, L. V.; Бегунович, Людмила Витальевна; Makarov, I. A.; Макаров, Илья Анатольевич; Korshunov, M. M.; Коршунов, Максим Михайлович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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10.

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].

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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
}
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