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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Komarov S. A., Scherbinin V. V.
Заглавие : A Surface Wave Excitation by a Finite Phased Plane Waveguide Array with an Impedance Flange
Место публикации : 12th International Conference on Mathematical Methods in Electromagnetic Theory, 2008, Odesa, Ukraine, 2008. pp. 314-316
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Rykshin A., Zatsepin P., Komarov S. A.
Заглавие : Electromagnetic Pulse Scattering by Dielectric Layer
Место публикации : 12th International Conference on Mathematical Methods in Electromagnetic Theory, 2008, Odessa, Ukraine, p. 20
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Platunov M. S., Fedorova N. A., Pyastolova Yu. V., Laptash N. M., Knyazev Yu. V., Tomilin F. N., Dubrovskiy A. A.
Заглавие : Unraveling dynamic Jahn-Teller effect and magnetism in FeTiF6×6H2O single crystal
Колич.характеристики :9 с
Место публикации : J. Alloys Compd. - 2024. - Vol. 999. - Ст.175104. - ISSN 09258388 (ISSN), DOI 10.1016/j.jallcom.2024.175104. - ISSN 18734669 (eISSN)
Примечания : Cited References: 51. - The authors thank the Joint Supercomputer Center (JSCC) of the Russian Academy of Sciences. The authors would like to express their sincere gratitude to the ID12 beamline staff their exceptional dedication and professionalism in performing the synchrotron experiment during the challenging circumstances of the COVID-pandemic. We are particularly grateful to the postdocs, scientists, and technicians who took part in the experiment, ensuring its successful completion. We also gratefully acknowledge the provision of beamtime (Proposal HC-4375) by the European Synchrotron Radiation Facility (ESRF). The access to this world-class facility was instrumental in obtaining the high-quality data that formed the basis of our research. We are deeply appreciative of the contributions of all involved, and we extend our heartfelt thanks to each and every one of them
Аннотация: Hydrated iron fluoridotitanate (FeTiF6 × 6 H2O) single crystals are fascinating magnetic materials with unique properties. To understand the underlying mechanisms, this study combines X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) techniques, complemented by density functional theory (DFT) calculations. Polarization-dependent X-ray absorption spectroscopy, encompassing XANES and XMCD, is a powerful technique for probing the local structures and magnetic properties of materials. It is element-selective, bulk-sensitive, and compatible with a wide range of experimental conditions. In this study, we used XANES and XMCD spectroscopies to investigate the local structures and magnetic properties of Fe and Ti in FeTiF6 × 6 H2O single crystals. XANES analysis revealed distinct local environments around Fe and Ti, providing insights into their coordination environments. Element-selective magnetization measurement at the Fe K-edge demonstrated that iron sites in the oxidation state Fe2+ have an unambiguous paramagnetic contribution to the magnetization along the b-axis. Notably, the absence of an XMCD signal at the Ti K-edge confirmed the absence of a magnetic moment in Ti atoms within the crystal. DFT calculations corroborate the experimental findings and provide insights into the electronic structure and magnetic interactions. The combined results provide a comprehensive understanding of the dynamic Jahn-Teller effect in FeTiF6 × 6 H2O single crystals, highlighting the significance of polarization-dependent X-ray absorption spectroscopy in unraveling the intricate magnetic behavior of such materials. This study contributes to the fundamental understanding of magnetism in these materials and paves the way for the development of novel magnetic materials with tailored properties.
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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) : Chibisov, Andrey N., Chibisova, Mary A., Prokhorenko, Anastasiia V., Obrazcov, Kirill V., Fedorov A. S., Yu, Yang-Xin
Заглавие : Possibilities of controlling the quantum states of hole qubits in an ultrathin germanium layer using a magnetic substrate: Results from ab initio calculations
Колич.характеристики :8 с
Место публикации : Nanomaterials. - 2023. - Vol. 13, Is. 23. - Ст.3070. - ISSN 20794991 (eISSN), DOI 10.3390/nano13233070
Примечания : Cited References: 36. - This work was supported by the Russian Science Foundation of the Russian Federation (project No. 22-23-01186). The authors would like to thank them for providing access to the HPC cluster at the Center for Shared Use of Scientific Equipment and the Center for Processing and Storage of Scientific Data of the Far Eastern Branch of the Russian Academy of Sciences and the Joint Supercomputer Center of the Russian Academy of Sciences (JSCC RAS)
Аннотация: Using density functional theory in the noncollinear approximation, the behavior of quantum states of hole qubits in a Ge/Co:ZnO system was studied in this work. A detailed analysis of the electronic structure and the distribution of total charge density and hole states was carried out. It was shown that in the presence of holes, the energetically more favorable quantum state is the state |0˃, in contrast to the state |1˃ when there is no hole in the system. The favorability of hole states was found to be dependent on the polarity of the applied electric field.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Novikova G. V., Tsyplenkova D. I., Kuzubov A. A., Kolenchukova O. A., Samoilo A. S., Vorobyev S. A.
Заглавие : Complex of ceftriaxone with Mg(II): Synthesis, structure, spectral and antibacterial properties
Колич.характеристики :11 с
Место публикации : J. Sib. Fed. Univ. Chem. - 2023. - Vol. 16, Is. 1. - P.5-15. - ISSN 19982836 (ISSN); Журн. СФУ. Химия. - ISSN 23136049 (eISSN)
Примечания : Cited References: 28. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20–43–240007
Аннотация: Magnesium complex of ceftriaxone was obtained and characterized by atomic-emission and elemental analysis, TGA, FTIR and Raman spectroscopy, X-ray diffraction and density functional theory calculations. Ceftriaxone was coordinated to the magnesium ion by the oxygen of the triazine cycle in the 6th position, the nitrogen of the amine group of the thiazole ring, and oxygen atoms of the lactam carbonyl and carboxylate groups. The disodium salt of ceftriaxone and magnesium complex were screened for antibacterial activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa.Получен и охарактеризован магниевый комплекс цефтриаксона методами атомно-эмиссионного и элементного анализов, ТГА, ИК- и КР‑спектроскопии, РФА и расчетов теории функционала плотности. Цефтриаксон координируется к иону магния через кислород триазинового цикла в шестом положении, азот аминогруппы тиазольного цикла и атомы кислорода карбоксильной и лактамной групп. Динатриевая соль цефтриаксона и комплекс магния были исследованы на антибактериальную активность в отношении Staphylococcus aureus, Escherichia coli и Pseudomonas aeruginosa.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Slyusarenko N. V., Yushina I. D., Slyusareva E. A., Golovkina E. V., Krylova S. N., Vtyurin A. N., Krylov A. S.
Заглавие : Determination of the pore direction in a crystalline metal-organic framework by Raman spectroscopy and periodic calculations based on the electron density functional theory
Колич.характеристики :10 с
Место публикации : Optoelectron. Instrum. Data Process. - 2023. - Vol. 59, Is. 6. - P.693-702. - ISSN 87566990 (ISSN), DOI 10.3103/S8756699023060134. - ISSN 19347944 (eISSN)
Примечания : Cited References: 32. - This work was supported by the Russian Foundation for Basic Research (Russian Center of Scientific Information), project no. 21-52-12018We are grateful to Dr. Irena Senkovska for the presented DUT-8 (Ni, Co) samples
Аннотация: A method for the determination of pore orientation in metal-organic framework structures by polarized Raman spectra is proposed. The method involves sensitivity of the line intensity of Raman scattering to the geometry of propagation in a crystal. The operability of the method is shown by DUT-8 (Ni, Co) crystals. The obtained results are interpreted based on analysis of symmetry and direction of vibrations within periodic calculations of the electron density functional theory. The simultaneous approach allowed us to describe the vibrations and to find the principal crystal orientation collinear to the pore direction. The information on the pore orientation is necessary for problems of adsorption and design of complex multicomponent materials based on metal-organic framework.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylova S. N.
Заглавие : Calculation of the phonon spectrum of PbMnBO4 crystal using density functional theory
Колич.характеристики :9 с
Место публикации : Crystallogr. Rep. - 2023. - Vol. 68, Is. 5. - P.788-796. - ISSN 10637745 (ISSN), DOI 10.1134/S1063774523600436. - ISSN 1562689X (eISSN)
Примечания : Cited References: 31. - This study was supported by the Russian Foundation for Basic Research, project no. 21-52-12018 NNIO_а
Аннотация: The phonon dispersion and Raman spectrum of the PbMnBO4 ferromagnetic crystal have been calculated within the density functional theory. Imaginary phonon branches have been observed at the points Y, Z, and Г and along the X–S direction of the Brillouin zone, which indicates structural instability and a possible phase transition with variation in external factors (temperature and pressure). The shapes of vibrations and symmetry types of the normal modes of the crystal at the center of the Brillouin zone have been determined. The calculation results are compared with the experimental and theoretical spectra from other studies. It is shown that the vibrational mode of highest intensity at 692.5 cm–1 in the spectrum and the mode at 272.3 cm–1, corresponding to the experimental modes at 690.5 and 224.7 cm–1, are bending vibrations of oxygen atoms in distorted MnO6 octahedra.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shustin M. S., Dzebisashvili D. M., Stepanenko V. A.
Заглавие : To an analytical theory of higher-order magnetic skyrmions in nonuniform magnetic fields
Колич.характеристики :9 с
Коллективы : Nanophysics and Nanoelectronics, International Symposium
Место публикации : Phys. Solid State. - 2023. - Vol. 65, Is. 6. - P.978-986. - ISSN 10637834 (ISSN), DOI 10.21883/PSS.2023.06.56111.41H. - ISSN 10906460 (eISSN)
Примечания : Cited References: 44. - The research was supported by ”BASIS“ Foundation for Development of Theoretic Physics and Mathematics (project No. 20-1-4-25-1), grant of the President of the Russian Federation MK-4687.2022.1.2, Krasnoyarsk Mathematical Center and financed by the Ministry of Science and Higher Education of the Russian Federation (Agreement No. 075-02-2023-936)
Аннотация: It is shown that axially symmetric inhomogeneous magnetic fields can lead to stabilization of higher-order magnetic skyrmions with topological charge |Q| ˃ 1 due to orbital effects. We developed the analytical theory on the energy, size, and domain wall width of the such skyrmions in a power-law inhomogeneous fields, with a parameters corresponding to strongly correlated electron systems. The results obtained may have applications in describing the formation of nontrivial magnetic structures in inhomogeneous fields of superconducting vortices in heterostructures superconductor – chiral magnet of the type [Ir1Fe0.5Co0.5Pt1]10/MgO/Nb.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bulgakov E. N., Maksimov D. N., Ershov A. E.
Заглавие : Optical coupled-mode theory for dielectric solids of revolution
Место публикации : Phys. Rev. A. - 2023. - Vol. 107, Is. 4. - Ст.043506. - ISSN 24699926 (ISSN), DOI 10.1103/PhysRevA.107.043506. - ISSN 24699934 (eISSN)
Примечания : Cited References: 33. - This work received financial support through Russian Science Foundation Grant No. 22-72-00102
Аннотация: We propose a single resonance coupled-mode approach to light scattering by dielectric solids of revolution. By using a biorthogonal decomposition of the S matrix found with the extended boundary condition method we derived all parameters required for application of the temporal coupled-mode theory in a closed form. The proposed approach allows for constructing a frequency-dependent Fano response due to a single resonance after the full-wave solution has been found at a single incident frequency.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorova, Natalja A., Kovaleva, Alena V., Olshevskaya Ju. S., Ivanova D. A., Kozak V. V., Shubin A. A., Tarasov A. S., Varnakov S. N., Ovchinnikov S. G., Moshkina E. M., Maximova O. A., Avramov P. V., Tomilin F. N.
Заглавие : Substitution effects in spin-polarized (Cr4-xFex)0.5AC (A = Ge, Si, Al) MAX phases
Место публикации : Magnetochemistry. - 2023. - Vol. 9, Is. 6. - Ст.147. - ISSN 23127481 (eISSN), DOI 10.3390/magnetochemistry9060147
Примечания : Cited References: 59. - This study was supported by the Russian Science Foundation, project no. 21-12-00226. P.V.A. acknowledges the support of the National Research Foundation of the Republic of Korea, grant no. NRF 2021R1A2C1010455
Аннотация: The use of spintronic devices with a tunable magnetic order on small scales is highly important for novel applications. The MAX phases containing transition metals and/or magnetic ion-substituted lattices attract a lot of attention. In this study, the magnetic and electronic properties of (Cr4-xFex)0.5AC (A = Ge, Si, Al) compounds were predicted and investigated within the density functional theory. It was established that single-substituted (Cr3Fe1)0.5AC (A = Ge, Si, Al) lattices are favorable in terms of energy. An analysis of the magnetic states of the MAX phases demonstrated that their spin order changes upon substitution of iron atoms for chromium ones. It was found that mostly the (Cr4-xFex)0.5GeC and (Cr4-xFex)0.5AlC lattices acquire a ferrimagnetic state in contrast to (Cr4-xFex)0.5SiC for which the ferromagnetic spin order dominates. It was pointed out that the atomic substitution could be an efficient way to tune the magnetic properties of proposed (Cr4-xFex)0.5AC (A = Ge, Si, Al) MAX phases.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuz'min V. I., Nikolaev S. V., Korshunov M. M., Ovchinnikov S. G.
Заглавие : One- and two-particle correlation functions in the cluster perturbation theory for cuprates
Место публикации : Materials. - 2023. - Vol. 16, Is. 13. - Ст.4640. - ISSN 19961944 (eISSN), DOI 10.3390/ma16134640
Примечания : Cited References: 63. - V.I.K. and S.V.N. acknowledge support from the Krasnoyarsk Regional Science Foundation and Russian Science Foundation, grant no. 22-22-20007We acknowledge useful discussions with E.I. Shneyder
Аннотация: The physics of high-Tc superconducting cuprates is obscured by the effect of strong electronic correlations. One way to overcome this problem is to seek an exact solution at least within a small cluster and expand it to the whole crystal. Such an approach is at the heart of cluster perturbation theory (CPT). Here, we developed CPT for the dynamic spin and charge susceptibilities (spin-CPT and charge-CPT), with the correlation effects explicitly taken into account by the exact diagonalization. We applied spin-CPT and charge-CPT to the effective two-band Hubbard model for the cuprates obtained from the three-band Emery model and calculated one- and two-particle correlation functions, namely, a spectral function and spin and charge susceptibilities. The doping dependence of the spin susceptibility was studied within spin-CPT and CPT-RPA, that is, the CPT generalization of the random phase approximation (RPA). In the underdoped region, both our methods resulted in the signatures of the upper branch of the spin excitation dispersion with the lowest excitation energy at the (π,π) wave vector and no presence of low-energy incommensurate excitations. In the high doping region, both methods produced a low energy response at four incommensurate wave vectors in qualitative agreement with the results of the inelastic neutron scattering experiments on overdoped cuprates.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Oreshonkov A. S., Sukhanova E. V., Popov Z. I.
Заглавие : Raman spectroscopy of Janus MoSSe monolayer polymorph modifications using density functional theory
Место публикации : Materials. - 2022. - Vol. 15, Is. 11. - Ст.3988. - ISSN 19961944 (ISSN), DOI 10.3390/ma15113988
Примечания : Cited References: 45. - This research was funded by Russian Science Foundation, grant number 21-73-20183
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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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Nekrasov I., Ovchinnikov S. G.
Заглавие : Hydrides under high pressure
Место публикации : J. Supercond. Nov. Magn. - 2022. - Vol. 35, Is. 4: Road to Room Temperature Superconductivity. - P.959-963. - ISSN 15571939 (ISSN), DOI 10.1007/s10948-021-06087-3
Примечания : Cited References: 44. - This work was partially supported by RFBR grant No. 20-02-00011
Аннотация: The experimental discovery of the highest, up to 0 degree Celsius, superconducting transition temperatures Tc in the class of so-called hydrides under high pressure is undoubtedly the striking event in modern physics. In this paper, we give a short overview of the some history of the room-temperature conventional superconductivity. A theoretical description of such high Tc, as was shown and even predicted in a number of ab initio works, can be unambiguously given in the framework of the electron–phonon mechanism of Cooper pairing. Thus, the basic equation to calculate Tc will be the one proposed in 1957 by Bardeen, Cooper, and Schriefer. It is known that in this case the value of Tc is directly determined by a number of effective parameters: the Debye frequency, the density of electronic states at the Fermi level, and the electron–phonon interaction constant. Within the framework of the modern development of the density functional theory, all these quantities can be obtained using standard packages for band structure calculations.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bikbaev R. G., Timofeev I. V., Shabanov V. F.
Заглавие : Investigation of spectral properties of chloroplast grana system by effective medium theory
Место публикации : Dokl. Phys. - 2022. - Vol. 67, Is. 2. - P.44-46. - ISSN 10283358 (ISSN), DOI 10.1134/S1028335822020033
Примечания : Cited References: 10
Аннотация: In this paper, the spectral properties of the triangular lattice of grana are investigated. By the finite difference time domain method, the transmittance spectra of the structure are calculated and the components of the scattering matrix are determined, which makes it possible to determine the effective parameters of the structure. As a result, it was shown that a two-dimensional lattice of grana can be represented as a homogeneous film with a thickness equal to the height of the grana. It is shown that the positions of the resonances before and after the homogenization of the structure coincide, which makes this method attractive for estimated calculations of the structure.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Makarov I. A., Ovchinnikov S. G.
Заглавие : Enhanced s*-wave component of the superconducting gap in overdoped HTSC cuprates with orthorhombic distortion
Место публикации : Phys. Lett. A. - 2022. - Vol. 444. - Ст.128226. - ISSN 03759601 (ISSN), DOI 10.1016/j.physleta.2022.128226
Примечания : Cited References: 67. - We would like to especially thank A. Bianconi for new ideas, useful discussions, and suggestions. The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science according to the research project “Studies of superexchange and electron-phonon interactions in correlated systems as a basis for searching for promising functional materials” No. 20-42-240016
Аннотация: In this work, the concentration and temperature dependence of the superconducting gap of the HTSC cuprate in the orthorhombic phase are obtained within the framework of the Hubbard model taking into account the exchange mechanism of pairing. To elucidate the reasons for the unexpectedly large s*-wave component of the superconducting gap in the overdoped regime, the electronic structure of low-energy excitations and the k-dependent contributions of pair states to the gap components were investigated. It is shown that the s*-wave component growth results from the shallowing of the electron pocket in the region of the s*-wave component maximum.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Erohin S. V., Churkin V. D., Vnukova N. G., Visotin M. A., Kovaleva E. A., Zhukov V. V., Antipina L. Yu., Tomashevich Ye. V., Mikhlin U. L., Popov M. Yu., Churilov G. N., Sorokin P. B., Fedorov A. S.
Заглавие : Insights into fullerene polymerization under the high pressure: The role of endohedral Sc dimer
Место публикации : Carbon. - 2022. - Vol. 189. - P.37-45. - ISSN 00086223 (ISSN), DOI 10.1016/j.carbon.2021.12.040
Примечания : Cited References: 39. - The authors gratefully acknowledge the financial support of RFBR (Project identifier:18-29-19080). The calculations were performed at supercomputer cluster provided by the Materials Modeling and Development Laboratory at NUST “MISIS” and Joint Supercomputer Center of the Russian Academy of Sciences. The authors thank the staff of the Information Technology Department of the Moscow Institute of Physics and Technology and express their gratitude to the Data Center Group for their help in making calculations. M.P. acknowledges the support of the Ministry of Science and Higher Education of the Russian Federation in the framework of the State Task (project code 0718-2020-0037) for Raman study, interpretation, and discussion of obtained results as well as Russian Science Foundation (project #20-12-00097) for investigation of fullerite mechanical properties. V.D.C. acknowledges the support of RFBR (Project identifier:20-32-90038)
Аннотация: In this work, through the technology of producing endohedral metallofullerene in macroscopic quantities, the process of pressure polymerization of Sc2C2@C82 and their mechanical properties have been investigated in detail using a set of experimental and theoretical methods. The crucial role of endohedral atoms is demonstrated by comparison with pristine fullerenes. It is shown that the embedding of Sc2C2 complex inside a fullerene significantly facilitates the polymerization process which finally leads to the highly rigid material at high pressures.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Oreshonkov A. S.
Заглавие : SI: Advances in density functional theory (DFT) studies of solids
Место публикации : Mater. - 2022. - Vol. 15, Is. 6. - Ст.2099. - ISSN 19961944 (ISSN), DOI 10.3390/ma15062099
Примечания : Cited References: 10
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Rudakova N. V., Bikbaev R. G., Pankin P. S., Vetrov S. Ya., Timofeev I. V., Chen, Kuo-Ping, Lee, Wei
Заглавие : Metal-dielectric polarization-preserving anisotropic mirror for chiral optical Tamm state
Коллективы : RFBRRussian Foundation for Basic Research (RFBR); MOST [19-52-52006]; Higher Education Sprout Project of the National Yang Ming Chiao Tung University; Ministry of Science and Technology (MOST)Ministry of Science and Technology, China [108-2923-E-009-003-MY3]
Место публикации : Nanomaterials. - 2022. - Vol. 12, Is. 2. - Ст.234. - ISSN 2079-4991(eISSN), DOI 10.3390/nano12020234
Примечания : Cited References: 46. - The reported study was funded by RFBR and MOST according to the research project No. 19-52-52006. This work was also supported by the Higher Education Sprout Project of the National Yang Ming Chiao Tung University and Ministry of Education and the Ministry of Science and Technology (MOST) No. 108-2923-E-009-003-MY3
Предметные рубрики: PLASMON
MODES
PHASE
ABSORPTION
RESONANCE
Аннотация: This numerical study demonstrates the possibility of exciting a chiral optical Tamm state localized at the interface between a cholesteric liquid crystal and a polarization-preserving anisotropic mirror conjugated to a metasurface. The difference of the proposed structure from a fully dielectric one is that the metasurface makes it possible to decrease the number of layers of a polarization-preserving anisotropic mirror by a factor of more than two at the retained Q-factor of the localized state. It is shown that the proposed structure can be used in a vertically emitting laser.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tomilin F. N., Shubin A. A., Kozak V. V., Ivanova D. A., Fedorova N. A., Ol’shevskaya Y. S., Kovaleva A. V., Avramov P. V., Ovchinnikov S. G.
Заглавие : Effect of substitution on magnetic moments of iron and chromium atoms in MAX phases of type (Cr4 – xFex)0.5SiC: Theoretical calculation
Место публикации : Phys. Met. Metallogr. - 2022. - Vol. 123, Is. 7. - P.640-644. - ISSN 0031918X (ISSN), DOI 10.1134/S0031918X22070195
Примечания : Cited References: 25. - The study is supported by the Russian Science Foundation (project no. 21-12-00226) and by the Interagency Supercomputer Center of the Russian Academy of Sciences (MVS-100K and MVS-10P)
Аннотация: MAX phases are a family of ternary layered compounds with formal stoichiometry M2AX and have a layered hexagonal structure. Calculations with the B3LYP density functional show that, by varying the ratio between the chromium and iron in the MAX phase (Cr4 – xFex)0.5SiC, it is possible to change the lattice parameters and the magnetic moment on metal atoms. In this phase, a partial substitution of one metal for the other can be considered a technique of intended variation of their magnetic properties.
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