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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Nemtsev A. V.
Заглавие : Ab initio comparative study of the magnetic, electronic and optical properties of AB2O4 (A, B= Mn, Fe) spinels
Место публикации : Mater. Chem. Phys. - 2021. - Vol. 259. - Ст.124065. - ISSN 0254-0584 (ISSN), DOI 10.1016/j.matchemphys.2020.124065. - ISSN 1879-3312 (eISSN)
Примечания : Cited References: 32. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project № 19-42-240016: «Control of structural, magnetic, electronic, and optical properties by pressure and intercalation into functional compounds with a spinel structure containing 3d and 4f ions » 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)
Аннотация: The comparison of the magnetic, electronic, and optical properties of the spinel transition-metal oxides AB2O4 (A, B = Fe, Mn) and their relationship with the structure and composition were studied within DFT-GGA + U approximation. The spinels were considered both in the normal and inverse structure. We have found that regardless of composition and structure, the studied spinels are ferrimagnetic with antiparallel magnetic moments on A- and B-site cations. Electronic and structural properties of spinels depend on the composition: FeMn2O4 has a tetragonal structure and half-metallic properties; however, in the inverse FeMn2O4, the bandgap opens for the spin-up channel. MnFe2O4 is a cubic insulator with a bandgap of about 1.5 eV, which decreases in the inverse structure. The superexchange constants estimate within the simple indirect coupling model and have values close to the experimental ones. The total magnetization of FeMn2O4 is drop-down to zero under hydrostatic pressure above 60 GPa due to the strong dependence of the magnetic moment of octahedral manganese ion on the pressure. The microscopic mechanisms of the relationship between the structure, composition and properties are studied.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Nemtsev I. V., Zhandun V. S.
Заглавие : Ab initio study of interrelation between structural, magnetic and optical properties of MnGa2O4 and MnCo2O4 spinels
Коллективы : Российская академия наук, Уральское отделение РАН, Институт физики металлов им. М. Н. Михеева Уральского отделения РАН, Уральский федеральный университет им. первого Президента России Б.Н. Ельцина, Российский фонд фундаментальных исследований, Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : Euro-asian symposium "Trends in magnetism" (EASTMAG-2019): Book of abstracts/ чл. конс. ком.: S. G. Ovchinnikov, N. V. Volkov [et al.] ; чл. прогр. ком. D. M. Dzebisashvili [et al.]. - 2019. - Vol. 2. - Ст.K.P27. - P.364-365. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 1. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project No. 18-42-243019: ”Firstprinciples studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions”. This work has been carried out using computing resources of the federal collective usage center Complex for Simulation and Data Processing for Mega-science Facilities at NRC “Kurchatov Institute”, http://ckp.nrcki.ru/
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Немцев, Андрей В.
Заглавие : Ab Initio study of the relation between the structural, magnetic, and optical properties of normal and inverse MnGa2O4 spinels
Коллективы : Russian Foundation for Basic Research, Government of Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [18-42-243019]
Место публикации : J. Exp. Theor. Phys. - 2020. - Vol. 130, Is. 3. - P.418-422. - ISSN 1063-7761, DOI 10.1134/S106377612002017X. - ISSN 1090-6509(eISSN)
Примечания : Cited References: 20. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project no. 18-42-243019: "First-principles studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions."
Предметные рубрики: STABILITY
Аннотация: The electronic, magnetic, and optical properties of MnGa2O4 in the structure of the normal and inverse spinels are subjected to an ab initio investigation and comparison. The generalized gradient approximation (GGA) predicts that the normal MnGa2O4 spinel is a semiconductor with a bandgap of about 0.7 eV, and a bandgap in the structure of the inverse spinel appears only in terms of the GGA + U approach. A simple exchange interaction model is used to calculate exchange integrals. In both structure types, MnGa2O4 exhibits antiferromagnetic behavior, and the normal structure is energetically favorable. The inverse spinel becomes energetically favorable only when a negative pressure is applied. The absorption spectra of the normal spinel are found to have a spectral window at a wavelength larger than 450 nm.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Berzhanskii V. N., Gavrichkov S. A., Ivanov V. I., Kalinnikov V. T.
Заглавие : Bond formation effect on the g-factor of chalcogenide chromium spinels
Место публикации : Fiz. Tverd. Tela. - 1982. - Vol. 24, Is. 3. - P.945-948. - ISSN 0367-3294
Примечания : Cited References: 15
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Ivanova N. B., Ovchinnikov S. G., Balaev A. D., Aminov T. G., Shabunina G. G., Chernov V. K., Petukhov M. V.
Заглавие : Comparison of negative magnetoresistance mechanisms in manganese perovskites and chromium spinels
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1999. - Vol. 41, Is. 10. - P1652-1655. - ISSN 1063-7834, DOI 10.1134/1.1131064
Примечания : Cited References: 17
Предметные рубрики: ANISOTROPIC MAGNETORESISTANCE
TRANSPORT-PROPERTIES
THIN-FILMS
ALLOYS
Аннотация: A transition of the field dependence of the electrical resistivity from a square law (similar to H-2) above T-c to a linear function (similar to H) below T-c is observed in the degenerate ferromagnetic semiconductor HgCr2Se4(n). Together with the large negative magnetoresistance, these magnetoelectric effects correspond to effects observed in the perovskite-type oxides La1-xCaxMnOdelta. Inasmuch as the undoped semiconductor HgCr2Se4 is a ferromagnet with approximately the same critical temperature as the doped semiconductor and in view of the total lack of data on the Jahn-Teller effect in this compound, we infer that our results cast doubt on existing hypotheses (polaron and binary exchange) regarding the origin of the giant magnetoresistance in La1-xCaxMnOdelta. Impurity sd scattering is discussed as a possible magnetoresistance mechanism for both compounds. (C) 1999 American Institute of Physics. [S1063-7834(99)01710-4].
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ivantsov R. D., Edelman I. S., Zharkov S. M., Velikanov D. A., Petrov D. A., Ovchinnikov S. G., Lin C.-R., Li O., Tseng Y.-T.
Заглавие : Effects of processing parameters on the morphology, structure, and magnetic properties of Cu1-xFexCr2Se4 nanoparticles synthesized with chemical methods
Место публикации : J. Alloys Compd.: Elsevier, 2015. - Vol. 650. - P.887-895. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2015.08.017
Примечания : Cited References: 36. - The paper was partially supported by the Russian Foundation for Basic Research (grant #14-02-01211), by the President of Russia (grant #NSh-2886.2014.2), and by the Ministry of Education and Science of the Russian Federation (grant #2014/71/1763 in the framework of the state assignment for the Siberian Federal University for 2014-2016). We also thank the Ministry of Science and Technology of Taiwan and the Siberian Branch of RAS (MOST 102-2112-M-153 -002 -MY3) for financial support.
Предметные рубрики: CuCr2Se4 SINGLE-CRYSTALS
TRANSPORT-PROPERTIES
CHROMIUM SPINELS
NANOSTRUCTURES
DIFFRACTION
Li
Ключевые слова (''Своб.индексиров.''): copper selenide--magnetic nanoparticles--visible magnetic circular dichroism
Аннотация: Cu1-xFexCr2Se4 nanoparticles with x = 0, 0.2, and 0.4 were synthesized via thermal decomposition of metal nitrate or chloride salts and selenium powder using different precursor compositions and processing details. Single crystalline nano-belts or nano-rods coexist in the synthesized powder samples with hexagon-shaped plates in dependence on the precursor composition. The belts gathered into conglomerates forming "hierarchical" particles. Visible magnetic circular dichroism (MCD) of Cu1-xFexCr2Se4 nanoparticles embedded into a transparent matrix was investigated for the first time. The similarity of the MCD spectra of all samples showed the similarity of the nanoparticles electronic structure independent of their morphology. Basing on the MCD spectral maxima characteristics, electron transitions from the ground to the excited states were identified with the help of the conventional band theory and the multi-electron approach. © 2015 Elsevier B.V.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Berzhanskii V. N., GAVRICHKOV S. A., IVANOV V. I.
Заглавие : Electron-paramagnetic-res relaxation in chromium chalcogenide spinels
Место публикации : Fiz. Tverd. Tela. - 1982. - Vol. 24, Is. 7. - P.2215-2218. - ISSN 0367-3294
Примечания : Cited References: 8
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Balaev D. A., Bulavchenko O. A., Dubrovskii A. A., Tsybulya S. V., Cherepanova S. V., Gerasimov E. Y., Shaikhutdinov K. A.
Заглавие : Features of the structure, microstructure, and magnetic properties of manganese-aluminum spinels obtained in various thermal treatment conditions
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2013. - Vol. 55, Is. 7. - P.1401-1406. - ISSN 1063-7834, DOI 10.1134/S1063783413070056
Примечания : Cited References: 18. - This study was supported by the Russian Foundation for Basic Research (project no. 12-03-90839-mol_rf_nr) and the Ministry of Education and Science of the Russian Federation (agreement no. 8429).
Предметные рубрики: A-SITE SPINELS
CATALYSTS
OXIDE
MN3O4
Аннотация: The structural, microstructural, and magnetic properties of aluminum-manganese oxide in the ratio Mn: Al = 1: 1 in the well-crystallized and nanoheterogeneous states have been investigated. This oxide is obtained under various thermal treatment conditions and at different partial pressures of oxygen. The composition and cation distribution of the manganese and aluminum ions in spinel sites are determined. It is shown that the studied compound is a ferrimagnet with the Curie point T (C) a parts per thousand 26 K.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Nemtsev I. V., Zhandun V. S., Zinenko V. I.
Заглавие : First-principle calculations of electronic, magnetic and optical properties of spinels MnFe2O4 and FeMn2O4
Коллективы : International Seminar on Ferroelastic Physics, Международный семинар по физике сегнетоэластиков, Российская академия наук, Воронежский государственный технический университет
Место публикации : Ninth international seminar on ferroelastic physics (ISFP-9): book of abstracts/ org. com. I. N. Flerov [et al.] ; progr. com. V. I. Zinenko [et al.]. - 2018. - P.84
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Berry F. J., Dmitrieva T. V., Ovanesyan N. S., Lyubutin I. S., Thomas M. F., Sarkisyan V. A., Ren X., Aminov T. G., Shabunina G. G., Rudenko V., Vorotynov A. M., Dubinskaya Y. L.
Заглавие : Magnetic order in FeCr2S4-type chalcogenide spinels
Место публикации : J. Phys.: Condens. Matter: IOP PUBLISHING LTD, 2007. - Vol. 19, Is. 26. - Ст.266204. - ISSN 0953-8984, DOI 10.1088/0953-8984/19/26/266204
Примечания : Cited References: 15
Предметные рубрики: COLOSSAL-MAGNETORESISTANCE
TRANSITION
Ключевые слова (''Своб.индексиров.''): doping (additives)--iron compounds--magnetization--magnetoresistance--mossbauer spectroscopy--x ray absorption fine structure spectroscopy--chalcogenide spinels--low temperature magnetic behaviour--magnetic ordering temperature--thiospinels--chalcogenides
Аннотация: The thiospinels of composition FeCr2S4 and Fe1+xCr2-2xSnxS4 with 0 x 0.1 have been examined by means of extended x- ray absorption fine structure, Mossbauer spectroscopy and magnetoresistance techniques. The structural characterization shows that tin enters the spinel- related lattice as Sn4+ and occupies the octahedral B site. Appreciable magnetoresistance is observed in the temperature range 160 - 185 K which includes the magnetic ordering temperature. The effect of slight non- stoichiometry in FeCr2S4 and of tin doping is observed in the M r ossbauer spectra which show the Fe2+ ions to occupy the tetrahedral A sites. The M r ossbauer spectra recorded around the magnetic ordering temperature are sensitive to small ( 0.03 T) applied magnetic fields. The influence of tin on the low temperature magnetic behaviour is associated with the distribution of Cr3+, Sn4+ and Fe3+ ions around tetrahedral Fe2+ sites and vacancies in the anionic sublattice. An interpretation of the colossal magnetoresistance phenomena below TN is suggested.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vorotynov A. M., Pankrats A. I., Abramova G. M., Velikanov D. A., Bovina A. F., Sokolov V. V., Filatova I. Y.
Заглавие : Magnetic resonance in a gallium-doped Cu–Cr–S structure
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 58, Is. 4. - P.678-681. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783416040314
Примечания : Cited References: 9
Предметные рубрики: Ferromagnetic spinels
Аннотация: A layered Cu–Cr–S structure doped with Ga ions and consisting of single-crystal CuCrS2 layers, embedded with thin plates of spinel phases CuCr2S4 and CuGaxCr2–xS4, has been studied using the magnetic resonance and magnetic susceptibility methods. The Curie temperature and the saturation magnetization of the spinel phases of the samples have been determined. The spinel phase layer thickness has been estimated. © 2016, Pleiades Publishing, Ltd.
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12.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Zhandun V. S., Nemtsev I. V., Zinenko V. I.
Заглавие : Magnetic, magnetoelectric and electronic properties of spinels Co3O4, MnGa2O4 and CoAl2O4
Коллективы : Joint Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, Young scientists school on the spectroscopic, Физико-технический институт им. А.Ф. Иоффе РАН, Санкт-Петербургский политехнический университет им. Петра Великого
Место публикации : Joint 14th Rus./CIS/Baltic/Japan Symp. on Ferroelectricity (RCBJSF)/ Young sci. school on the spect. studies of critical dynamics at struct. phase trans.: Abstract book/ org. comm. A. N. Vtyurin ; progr. comm. I. N. Flerov. - 2018. - P.175. - ISBN 978-5-9651-1144-2
Примечания : Cited References:
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Babkin E. V., Mushailov E.S., Pynko V. G.
Заглавие : Magnetoelectric effect in ferromanganese spinels
Место публикации : Zhurnal Tek. Fiz. - 1982. - Vol. 52, Is. 11. - P.2285-2286. - ISSN 0044-4642
Примечания : Cited References: 6
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Valkov V. V., Ovchinnikov S. G.
Заглавие : Phase-transition with valency changing in chalcogenide chromium spinels
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1980. - Vol. 22, Is. 11. - P3418-3425. - ISSN 0367-3294
Примечания : Cited References: 18
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pankrats A. I., Vorotynov A. M., Tugarinov V. I., Zharkov S. M., Velikanov D. A., Abramova G. M., Zeer G. M., Ramasamy K., Gupta A.
Заглавие : Structural and magnetic resonance investigations of CuCr2S4 nanoclusters and nanocrystals
Коллективы : Grant CRDF-SB RAS "New Nano-size and Layered Cu-containing Sulphides for Electronics" [RUP1-7054-KR-11, 16854]; Ministry of education and science of the Russian Federation
Место публикации : J. Appl. Phys.: American Institute of Physics, 2014. - Vol. 116, Is. 5. - Ст.54302. - ISSN 0021-8979, DOI 10.1063/1.4891993. - ISSN 1089-7550
Примечания : Cited References: 26. - The work was supported by a Grant CRDF-SB RAS "New Nano-size and Layered Cu-containing Sulphides for Electronics" RUP1-7054-KR-11, N 16854. S.M.Z. acknowledges support from the Ministry of education and science of the Russian Federation (in the framework of the state assignment for SFU for 2014).
Предметные рубрики: SUPERPARAMAGNETIC RESONANCE
NANOPARTICLES
GLASS
BIOMEDICINE
PARTICLES
SPINELS
Аннотация: Nanoclusters and nanocrystals of the room temperature magnetic spinel CuCr2S4 synthesized using a facile solution-based method have been examined by transmission electron microscopy, magnetic measurements, and magnetic resonance over a wide frequency range 9.6–80 GHz and at temperatures down to 4.2 K. Decreasing of the resonance field and broadening of the resonance lines below 50 K for both samples are due to the freezing of magnetic moments of nanocubes and nanocrystalline particles constituting nanoclusters. The effective fields of averaged magnetic anisotropy (HA)≌2.4 kOe are similar for both nanopowder samples as estimated from resonance measurements at T = 4.2 K. An additional blocking temperature T b ≅ 300 K appears in nanoclusters due to freezing of the magnetic moment of the entire cluster as a whole. Below this blocking temperature, the magnetic dipolar field acting in boundary areas of interacting constituent nanocrystals is responsible for the additional low-field resonance line observed in the resonance spectra of nanoclusters at X-band.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S.
Заглавие : The magnetic, electronic, optical, and structural properties of the AB2O4 (A = Mn, Fe, Co; B = Al, Ga, In) spinels: Ab initio study
Место публикации : J. Magn. Magn. Mater. - 2021. - Vol. 533. - Ст.168015. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2021.168015
Примечания : Cited References: 38. - The reported study was funded by Russian Foundation for Basic Research , Government of Krasnoyarsk Territory , Krasnoyarsk Regional Fund of Science to the research project № 19-42-240016: «Control of structural, magnetic, electronic, and optical properties by pressure and intercalation into functional compounds with a spinel structure containing 3d and 4f ions» 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)
Аннотация: The effect of cation composition on the magnetic, electronic, optical, and structural properties of the spinel oxides AB2O4 (A = Fe, Mn, Co; B = Al, Ga, In) were studied within DFT-GGA + U approximation. The spinels were considered both in the normal and inverse structure. FeB2O4 (B = Al, Ga, In) spinels have an inverse structure, whereas AB2O4 (A = Mn, Co; B = Al, Ga, In) prefer a normal structure. We find that the studied spinels are antiferromagnetic materials with the composition-dependent bandgap. The bandgap width is determined by the minimum of the conductive s-band formed by B-site cations states and can be increased by the applied pressure. The microscopic mechanisms of the relationship between composition, structural and electronic properties are analyzed. The ability to manipulate the structural, electronic, and optical properties is attributed to the different s-orbital energies and sizes of the B-site cations.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Draganyuk O. N.
Заглавие : The spin-state transition in ACo2O4 spinels (A = Be, Mg, Ca, Cd, Zn)
Место публикации : J. Magn. Magn. Mater. - 2022. - Vol. 552. - Ст.169206. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2022.169206
Примечания : Cited References: 51. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects № 19-42-240016: «Control of structural, magnetic, electronic, and optical properties by pressure and intercalation into functional compounds with a spinel structure containing 3d and 4f ions» and № 20-42-240004: “The effect of the composition, pressure, and dimension on the magnetic, electronic, optical, and elastic properties of the magnetic Mn+1AXn (M = Cr, Mn; Fe, A = Al, Ga, Si, Ge, P, In; X = C, N; n = 1-3) MAX-phases”. 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)
Аннотация: The magnetic and electronic properties of the Co-based spinel oxides ACo2O4 (A = Be, Mg, Ca, Zn, Cd) were studied within GGA + U approach. It was found that the Co3+ ion is in a low-spin state due to the effect of the crystal field of octahedral symmetry. It is shown that Co3+ ion undergoes a spin-state transition into the high-spin state under the critical pressure of P = −10 GPa – −20 GPa. This pressure-induced spin-state transition is caused by the redistribution of electrons between the t2g- and eg-orbitals arising with increasing interatomic distances. The role of interatomic distances between Co3+ ion and its ligands is discussed. Thin-film form also favors the appearance of a high-spin state of Co3+ ion. At the same critical pressure, there is a sharp increase in the majority spin bandgap and a sharp decrease in the minority spin bandgap. These findings allow manipulating the spin state of Co3+ ions and bandgap width through the pressure or strain arising in thin films.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Балаев, Дмитрий Александрович, Булавченко О. А., Дубровский, Андрей Александрович, Цыбуля С. В., Черепанова С. В., Герасимов Е. Ю., Шайхутдинов, Кирилл Александрович
Заглавие : Особенности структуры, микроструктуры и магнитных свойств марганец-алюминиевых шпинелей, полученных при различных условиях термообработки
Место публикации : Физ. тверд. тела. - 2013. - Т. 55, Вып. 7. - С. 1304-1309
Аннотация: Исследованы структурные, микроструктурные и магнитные характеристики алюмомарганцевого оксида в соотношении Mn : Al = 1: 1 в хорошо окристаллизованном и наногетерогенном состояниях, получаемого при различных условиях температурной обработки и разном парциальном давлении кислорода. Определены состав и катионное распределение ионов марганца и алюминия в позициях шпинели. Показано, что исследованное соединение является ферримагнетиком с точкой Кюри TC~ 26 K. Работа выполнена при частичной поддержке гранта РФФИ N 12-03-90839-мол\_рф\_нр, программы Министерства образования и науки РФ (соглашение N 8429).
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