Библиотека института физики им. Л.В. Киренского СО РАН

Главная

Базы данных

Труды сотрудников ИФ СО РАН - результаты поиска

Вид поиска

Каталог книг и брошюр библиотеки ИФ СО РАН

Каталог журналов библиотеки ИФ СО РАН

Труды сотрудников ИФ СО РАН

Область поиска

в найденном

Найдено в других БД:

Каталог книг и брошюр библиотеки ИФ СО РАН (11)

Каталог журналов библиотеки ИФ СО РАН (14)

Формат представления найденных документов:
полный	информационный	краткий

Отсортировать найденные документы по:
автору	заглавию	году издания	типу документа

Поисковый запрос: <.>DP=202402$<.>

Общее количество найденных документов : 26
Показаны документы с 1 по 10

1-10 11-20 21-26

A hybrid quantum–classical theory for predicting terahertz charge-transfer plasmons in metal nanoparticles on graphene / A. S. Fedorov, E. V. Eremkin, P. O. Krasnov [et al.] // J. Chem. Phys. - 2024. - Vol. 160, Is. 4. - Ст. 044117, DOI 10.1063/5.0178247. - 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 . - ISSN 0021-9606. - ISSN 1089-7690
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.

Смотреть статью,
Читать в сети ИФ
Держатели документа:
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Computational Modeling SB RAS, 660036 Krasnoyarsk, Russia
Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Eremkin, E. V.; Krasnov, P. O.; Gerasimov, V. S.; Agren, H.; Polyutov, S. P.
}
Найти похожие

Application of DUT-4 MOF structure switching for optical and electrical humidity sensing / A. S. Krylov, S. A. Shipilovskikh, S. N. Krylova [et al.] // Dalton Trans. - 2024. - Vol. 53, Is. 8. - P. 3459-3464, DOI 10.1039/D4DT00038B. - Cited References: 37. - The authors acknowledge the support by the state assignment of the Kirensky Institute of Physics FRC KSC SB RAS, also this work was financially supported by the RFBR (Russian Foundation for Basic Research), project no. 21-52-12018. S. A. S. acknowledges the financial support by the Russian Science Foundation (chemical part, Grant No. 22-73-10069 "Design and application of flexible metal organic frameworks for photonics devices"). V.A.M. acknowledges the Priority 2030 Federal Academic Leadership Program Ivan Sergeev (student in ITMO Univ.) for supporting in IV curve analysis. Raman, FTIR and SEM experiments were performed in the Center for Common Use of the Krasnoyarsk Scientific Center SB RAS (Krasnoyarsk, Russia) . - ISSN 1477-9226. - ISSN 1477-9234
Аннотация: The threshold structural transformation of the DUT-4 metal–organic framework (MOF) from an ordered to distorted phase during exposure to ambient conditions has been revealed. The in situ X-ray diffraction analysis, in situ Raman and FTIR spectroscopy, scanning electron microscopy and synchronous thermal analysis have been used for investigation. The reversible effect of exposure time and humidity on such a phase transition has been confirmed. We also demonstrated that the observed phase transition correlated well with changes in the optical and electronic properties of DUT-4, paving the way to a new family of MOF-based phase change materials for optoelectronic applications.

Смотреть статью,
Scopus
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
ITMO University, St. Petersburg, Russia
Siberian Federal University, Krasnoyarsk, Russia
South Ural State University, Chelyabinsk, Russia
Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Akademgorodok 50, 660036 Krasnoyarsk, Russia
Institut Jean Lamour, Universite de Lorraine, UMR CNRS 7198, 54011 Nancy, France

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Shipilovskikh, S. A.; Krylova, S. N.; Крылова, Светлана Николаевна; Slyusarenko, N. V.; Timofeeva, M.; Kenzhebayeva, Yu. A.; Bachinin, S. V.; Yushina, I. D.; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Shestakov, N. P.; Шестаков, Николай Петрович; Nemtsev, I. V.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Milichko, V. A.
}
Найти похожие

Auger electron spectroscopy of thin Cr2GeC films / T. A. Andryushchenko, S. A. Lyaschenko, S. N. Varnakov [et al.] // Phys. Met. Metallogr. - 2023. - Vol. 124, Is. 14. - P. 1776-1782, DOI 10.1134/S0031918X2360135X. - Cited References: 33. - The research was supported by the Russian Science Foundation (grant no. 21-12-00226, http://rscf.ru/project/21-12-00226/) . - ISSN 0031-918X. - ISSN 1555-6190
Кл.слова (ненормированные):
МАХ phases -- chromium germanides -- epitaxial thin films -- Auger electron spectroscopy -- magnetron sputtering co-deposition
Аннотация: Auger electron spectroscopy was used to determine the phase composition of Cr2GeC MAX phase thin films. A distinctive feature of the formation of carbon-containing MAX phases is the shape of carbon Auger peaks, which is characteristic of metal carbides spectra. Features of the Auger spectra in the presence of secondary phases of chromium germanides are found. Their presence can manifest itself in an increase in the energy of the germanium peaks, which is caused by a chemical shift during the formation of the Cr–Ge bond. Moreover, we have detected the accumulation of electronic charge, which can be explained by the features of the surface morphology.

Смотреть статью,
Scopus,
Читать в сети ИФ
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Andryushchenko, T. A.; Андрющенко, Татьяна Александровна; Lyashchenko, S. A.; Лященко, Сергей Александрович; Varnakov, S. N.; Варнаков, Сергей Николаевич; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Nemtsev, I. V.; Немцев, Иван Васильевич; Yakovlev, I. A.; Яковлев, Иван Александрович; Shevtsov, D. V.; Шевцов, Дмитрий Валентинович; Maximova, O. A.; Максимова, Ольга Александровна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
Найти похожие

Biological activity of fullerenols of various structure. The role of reactive oxygen species. Bioluminescent monitoring / E. S. Sushko, A. S. Sachkova, Н. Г. Внукова [et al.] // Biophysical reviews : 7th Congress of Biophysicists of Russia : conference proceedings. - 2023. - Vol. 15, Is. 5. - Ст. S7.437. - P. 1663DOI 10.1007/s12551-023-01150-w

Читать в сети ИФ

Публикация на русском языке Биологическая активность фуллеренолов различной структуры. Роль активных форм кислорода. Биолюминесцентный мониторинг [Текст] / Е. С. Сушко, А. С. Сачкова, Н. Г. Внукова [и др.] // VII Съезд биофизиков России : сборник научных трудов : в 2-х т. - Краснодар, 2023. - Т. 2. - С. 11

Держатели документа:
Institute of Biophysics SB RAS, FRC KSC SB RAS
Institute of Physics SB RAS, FRC KSC SB RAS
Tomsk Polytechnic University
Siberian Federal University, Krasnoyarsk
FRC KSC SB RAS, Krasnoyarsk

Доп.точки доступа:
Sushko, E. S.; Сушко, Екатерина Сергеевна; Sachkova, A. S.; Внукова, Наталья Григорьевна; Vnukova, N. G.; Чурилов, Григорий Николаевич; Churilov, G. N.; Stepin, E. A.; Kicheeva, A. G.; Kudryasheva, N. S.; Кудряшова, Надежда Степановна; Congress of Biophysicists of Russia(7 ; 2023 ; Apr. 17-23 ; Krasnodar)
}
Найти похожие

Chemical pressure as an effective tool for tuning the structural disordering and barocaloric efficiency of complex fluorides (NH4)3MF7 (M: Sn, Ti, Ge, Si) / I. N. Flerov, M. V. Gorev, E. V. Bogdanov, N. M. Laptash // J. Phys. D: Appl. Phys. - 2024. - Vol. 57, Is. 17. - Ст. 175301, DOI 10.1088/1361-6463/ad211b. - Cited References: 39. - The study was supported by a Grant from the Russian Science Foundation No. 23-22-00115, https://rscf.ru/project/23-22-00115/ . - ISSN 0022-3727. - ISSN 1361-6463
Кл.слова (ненормированные):
fluorides -- phase transformation -- phase diagram -- entropy -- pressure -- barocaloric effect
Аннотация: Double fluoride salts (NH4)3M4+F7 (M4+: Sn, Ti, Ge, Si) demonstrate a high efficiency of using chemical pressure as a tool for control and tuning structural ordering/disordering, sensitivity to hydrostatic pressure, successions of the phase transitions, etc and, as a result, for purposeful variation within a wide range of parameters of barocaloric effect (BCE). The conventional and inverse BCEs near the triple points were found on the T − p phase diagrams, combination of which can be used to construct original cooling cycle in narrow temperature and pressure ranges. Reconstructive transformation between two cubic phases, Pm3-m ↔ Pa3-, realized in (NH4)3SnF7 at atmospheric pressure and in (NH4)3TiF7 at p ˃ 0.4 GPa are characterized by rather low thermal hysteresis, δT0 = 1 K, and a great entropy change, ΔSBCE = 110–152 J (kg · K)−1, depending on the size of the central atom. At above 300–350 K, a contribution to BCE associated with the regular thermal expansion of the crystal lattice becomes comparable to entropy and temperature changes under pressure in the region of the phase transitions. An analysis of the absolute, relative and integral barocaloric characteristics of (NH4)3M4+F7 compounds showed their high competitiveness with respect to other barocaloric materials considered as promising solid-state refrigerants.

Смотреть статью,
Scopus,
WOS
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, 660074 Krasnoyarsk, Russia
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, 660049 Krasnoyarsk, Russia
Institute of Chemistry, Far Eastern Department of RAS, 690022 Vladivostok, Russia

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Laptash, N. M.
}
Найти похожие

    Highly efficient and thermostable far-red phosphor for promoting root growth in plants / Sh. Ouyang, J. Yin, L. Su [et al.] // J. Mater. Chem. C. - 2024. - Vol. 12, Is. 9. - P. 3272-3279, DOI 10.1039/D3TC02823B. - Cited References: 59. - The authors would like to gratefully acknowledge funds from the National Natural Science Foundation of China (Grant No. 51974123), the Key R&D Projects in Hunan Province (2021SK2047, 2022NK2044), the Natural Science Foundation of Hunan Province, China (Grant No. 2021JJ40261), the Wangcheng Science and Technology Plan (KJ221017), the Science and Technology Innovation Program of Hunan Province (2022WZ1022) and Superior Youth Project of the Science Research Project of Hunan Provincial Department of Education, (22B0211) and the Russian Federation as part of World-class Research Center Program: "Advanced Digital Technologies", contract no. 075-15-2020-935 . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Высокоэффективный и термостабильный инфракрасный люминофор для стимулирования роста корней растений
Аннотация: Phytochrome PFR plays a key role in plant photomorphogenesis, and its perception of far-red light is essential, but how to obtain an efficient far-red phosphor to achieve accurate light filling remains a huge challenge. In this study, Gd1−y−zAl3−x(BO3)4:xCr3+,yLu3+,zSm3+ (GAB:xCr3+,yLu3+,zSm3+) series phosphors were synthesized by a high-temperature solid-state method. By doping Lu3+, the emission intensity of Cr3+ could increase as high as 20%. With the introduction of Sm3+, the emission intensity of Cr3+ was further increased by 29%. Particularly, the emission spectra can be tuned by varying the concentration ratio of Sm3+ and Cr3+, more suitable for the absorption spectrum of PFR. Moreover, the internal quantum yield and external quantum yield of GL0.1AB:0.03Cr3+ and GL0.1AB:0.03Cr3+,0.003Sm3+ were 83.1% and 24.7% and 78.1% and 26.3%, respectively. There were high anti-thermal quenching properties in the prepared phosphors at 423 K, with 107.6% (GAB:0.03Cr3+), 103.1% (GL0.1AB:0.03Cr3+), and 102.7% (GL0.1AB:0.003Sm3+,0.03Cr3+). Finally, the phosphors were made into pc-LED devices, which can realize the adjustable orange-red and far-red luminescence and meet the needs of plant lighting applications. In the light-regulated plant growth experiment, compared with the control group, far-red light promoted root growth in plants, confirming the application potential of the prepared phosphors in indoor plant cultivation.

Смотреть статью,
Scopus
Держатели документа:
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, P. R. China
Hunan Rare Earth Metal Material Research Institute Co. Ltd, No. 108 Longyuan 2nd Road, Longping High-tech Park, Changsha, Hunan, P. R. China
Hunan Optical Agriculture Engineering Technology Research Center, Changsha 410128, P. R. China
College of Agronomy, Hunan Agricultural University, Changsha 410128, P. R. China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
World-Class Research Center “Advanced Dicita Technoloaies” University of Tvumen, Russia

Доп.точки доступа:
Ouyang, Sh.; Yin, J.; Su, L.; Yao, M.; Wang, G.; Yang, J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, Zh.; Zhang, S.; Xia, M.
}
Найти похожие

Magnetic anisotropy and ferromagnetic resonance in inhomogeneous demagnetizing fields near edges of thin magnetic films / P. N. Solovev, B. A. Belyaev, N. M. Boev [et al.] // J. Phys. Condens. Matter. - 2024. - Vol. 36, Is. 19. - Ст. 195803, DOI 10.1088/1361-648X/ad258c. - Cited References: 38 . - ISSN 0953-8984. - ISSN 1361-648X
Кл.слова (ненормированные):
edge domain -- demagnetizing fields -- demagnetizing fields -- film edges -- magnetic anisotropy -- magnetization dynamics
Аннотация: Using local ferromagnetic resonance spectroscopy, we have studied the magnetic properties near edges of thin tangentially magnetized permalloy films, in which a well-defined uniaxial magnetic anisotropy was induced perpendicular to one of the edges. In the experiment, two samples with thicknesses of 90 and 300 nm and with slightly different compositions were examined. To explain the magnetization dynamics near edges, we propose a simple yet effective model of a film in the form of a rectangular prism, which yields the modified Kittel formula for the resonance frequency. In this formula, the locally averaged distance-dependent demagnetizing field that emerges near the edges is included as an additional uniaxial anisotropy term. The measurements reveal that at a certain distance from the edge, the resulting (apparent) anisotropy, determined from the angular dependencies of the resonance field, almost vanishes. Moreover, its easy axis reorients to become parallel to the edge. The model predictions agree well with these results, proving that the main resonance mode behavior near the film edges can be accurately described by introducing additional effective uniaxial anisotropy, provided the measuring area is relatively large. However, for the thick (300 nm) sample, additional precession modes are also observed. These modes distort the angular dependence of the main mode, thus demonstrating the limitations of the model.

Смотреть статью,
Scopus,
WOS
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 50/38 Akademgorodok, 660036 Krasnoyarsk, Russia
Siberian Federal University, 79 Svobodny pr., 660041 Krasnoyarsk, Russia

Доп.точки доступа:
Solovev, P. N.; Соловьев, Платон Николаевич; Belyaev, B. A.; Беляев, Борис Афанасьевич; Boev, N. M.; Боев, Никита Михайлович; Skomorokhov, G. V.; Скоморохов, Георгий Витальевич; Izotov, A. V.; Изотов, Андрей Викторович
}
Найти похожие

Magnetic interparticle interactions and superparamagnetic blocking of powder systems of biogenic ferrihydrite nanoparticles / A. A. Krasikov, Yu. V. Knyazev, D. A. Balaev [et al.] // J. Exp. Theor. Phys. - 2023. - Vol. 137, Is. 6. - P. 903-913, DOI 10.1134/S1063776123120075. - Cited References: 58. - This study was supported by the Russian Science Foundation, project no. 22-72-00134 . - ISSN 1063-7761. - ISSN 1090-6509
Аннотация: The magnetic-field dependence of the superparamagnetic-blocking temperature TB of systems of antiferromagnetically ordered ferrihydrite nanoparticles has been investigated and analyzed. We studied two powder systems of nanoparticles: particles of “biogenic” ferrihydrite (with an average size of 2.7 nm), released as a result of vital functions of bacteria and coated with a thin organic shell, and particles of biogenic ferrihydrite subjected to low-temperature annealing, which cause an increase in the average particle size (to 3.8 nm) and burning out of the organic shell. The character of the temperature dependences of magnetization, measured after cooling in a weak field, as well as the shape of the obtained dependences TB(H), demonstrate peculiar features, indicating the influence of magnetic interparticle interactions. A detailed analysis of the dependences TB(H) within the random magnetic anisotropy model made it possible to estimate quantitatively the intensity of magnetic particle–particle interactions and determine the magnetic anisotropy constants of individual ferrihydrite particles.

Смотреть статью,
Scopus,
Читать в сети ИФ

Публикация на русском языке Магнитные межчастичные взаимодействия и суперпарамагнитная блокировка порошковых систем наночастиц биогенного ферригидрита [Текст] / А. А. Красиков, Ю. В. Князев, Д. А. Балаев [и др.]. - 13 с. // Журн. эксперим. и теор. физ. - 2023. - Т. 164 Вып. 6. - С. 1026-1038

Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036, Akademgorodok, Krasnoyarsk, Russia
Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Krasikov, A. A.; Красиков, Александр Александрович; Knyazev, Yu. V.; Князев, Юрий Владимирович; Balaev, D. A.; Балаев, Дмитрий Александрович; Stolyar, S. V.; Столяр, Сергей Викторович; Ladygina, V. P.; Balaev, A. D.; Балаев, Александр Дмитриевич; Iskhakov, R. S.; Исхаков, Рауф Садыкович
}
Найти похожие

Morozov, E. V.
Magnetic resonance imaging study of water absorption of polymer composite materials subjected to mechanical and temperature impact / E. V. Morozov, A. V. Il’ichev, V. M. Bouznik // Russ. J. Phys. Chem. B. - 2023. - Vol. 17, Is. 6. - P. 1361-1369, DOI 10.1134/S1990793123060064. - Cited References: 18. - The research was carried out as part of a state assignment of the Institute of Chemistry and Chemical Technology of the Siberian Branch of the Russian Academy of Sciences (project no. 0287-2021-0012) using the equipment of the Krasnoyarsk Regional Center for Collective Use of the Federal Research Center "Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences" . - ISSN 1990-7931. - ISSN 1990-7923
Кл.слова (ненормированные):
composite material -- fiberglass -- nuclear magnetic resonance -- magnetic resonance imaging -- water absorption
Аннотация: The results of a study of water absorption processes by samples of polymer composite materials (PCMs) based on fiberglass, subjected to low-speed impact with controlled impact energy and alternating temperature cycling are presented. Using magnetic resonance imaging (MRI), the distribution of absorbed water in the fiberglass structure is visualized and the dynamics of its accumulation in various areas of the sample are studied. It is found that mechanical impact leads to a nonuniform distribution of the absorbed water in the samples and a significant accumulation of free water in the areas of destruction and adjacent layers in the event of a violation of the integrity of the outer layer of the material. It is shown that cyclic alternating temperature effects do not lead to a noticeable change in the water absorption processes and are comparable in effect to mechanical nondestructive impacts. The results obtained using MRI are in close agreement with the data of traditional weight measurements, which shows the effectiveness of the method in diagnosing defects and mechanical damage to PCMs exposed to the humid environment.

Смотреть статью,
Scopus,
Читать в сети ИФ

Публикация на русском языке Морозов, Евгений Владимирович. Исследование водопоглощения полимерных композиционных материалов, подверженных механическому и температурному воздействиям, методом магнитно-резонансной томографии [Текст] / Е. В. Морозов, А. В. Ильичев, В. М. Бузник. - 9 с. // Химич. физика. - 2023. - Т. 42 № 11. - С. 54-62

Держатели документа:
Kirensky Institute of Physics of the Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, Russia
Institute of Chemistry and Chemical Technology of the Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, Russia

Доп.точки доступа:
Il’ichev, A. V.; Ильичев А. В.; Bouznik, V. M.; Бузник, Вячеслав Михайлович; Морозов, Евгений Владимирович
}
Найти похожие

10.

Zhandun, V. S.
Magnetic structure and pressure-induced spin-crossover in Me3B2O6 (Me = Mn, Fe, Co, Ni) kotoites: Representation analysis and DFT calculations / V. S. Zhandun, O. N. Draganyuk, N. G. Zamkova // Comput. Mater. Sci. - 2024. - Vol. 236. - Ст. 112859, DOI 10.1016/j.commatsci.2024.112859. - Cited References: 25. - The study was funded by a grant from the Russian Science Foundation # 22-22-20024 https://rscf.ru/project/22-22-20024/, Krasnoyarsk Regional Fund of Science. The calculations were performed with the computer resources of “Complex modeling and data processing research installations of mega-class” SRC “Kurchatovsky Institute” (http://ckp.urcki.ru). VZ thanks Dr. Natalia Kazak and Oksana Draganyuk for help in preparing the manuscript, useful discussions and valuable advices . - ISSN 0927-0256. - ISSN 1879-0801
Аннотация: The magnetic and electronic properties of transition metal borates Me3B2O6 (Me = Mn, Fe, Co, Ni) with kotoite structure have been investigated at ambient and high pressures via a combination of representation analysis and density functional theory (DFT + U) calculations. Several magnetic configurations corresponding to the different irreducible representations have been considered. The total-energy calculations reveal that the magnetic ground state of Me3B2O6 kotoites is composition-dependent. The lowest energy magnetic phase of manganese and nickel kotoites is characterized by the antiferromagnetic ordering of the transition metal magnetic moments along the c- axis and along the b-axis for cobalt and iron kotoites. The magnetic cell of Ni3B2O6 kotoite corresponds to k = (1/2, 0, 1/2) vector and four time larger than the unit cell. The calculated exchange constants indicate the competition between ferromagnetic and antiferromagnetic interactions. At a critical pressure, Me ions undergo a high-spin to low-spin state crossover. This magnetic moments collapse is analyzed in terms of change in electronic structure under pressure.

Смотреть статью,
Scopus,
WOS
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Professor V.F. Voino-Yasenetsky Krasnoyarsk State Medical University, 660022 Krasnoyarsk, Russia

Доп.точки доступа:
Draganyuk, O. N.; Драганюк, Оксана Николаевна; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Жандун, Вячеслав Сергеевич
}
Найти похожие