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Zhandun, V. S.
Ab initio comparative study of the magnetic, electronic and optical properties of AB2O4 (A, B= Mn, Fe) spinels / V. S. Zhandun, A. V. Nemtsev // Mater. Chem. Phys. - 2021. - Vol. 259. - Ст. 124065, DOI 10.1016/j.matchemphys.2020.124065. - 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) . - ISSN 0254-0584. - ISSN 1879-3312
Кл.слова (ненормированные):
Ab initio calculations -- Spinel -- Magnetic and electronic properties -- Optical properties -- Inverse structure -- Manganese and iron oxides
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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Держатели документа:
Kirensky Institute of Physics, Federal Research Center, Krasnoyarsk Science Centre, Siberian Branch of the Russian Academy of Sciences, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Nemtsev, A. V.; Немцев, А. В.; Жандун, Вячеслав Сергеевич
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Nemtsev, I. V.
Ab initio study of interrelation between structural, magnetic and optical properties of MnGa2O4 and MnCo2O4 spinels / I. V. Nemtsev, V. S. Zhandun // 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. - 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/ . - ISBN 978-5-9500855-7-4

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia

Доп.точки доступа:
Ovchinnikov, S. G. \чл. конс. ком.\; Овчинников, Сергей Геннадьевич; Volkov, N. V. \чл. конс. ком.\; Волков, Никита Валентинович; Dzebisashvili, D. M. \чл. прогр. ком.\; Дзебисашвили, Дмитрий Михайлович; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Немцев, Иван Васильевич; 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"(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg); "Trends in MAGnetism", Euro-Asian Symposium(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg)
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Zhandun, V. S.
Ab Initio study of the relation between the structural, magnetic, and optical properties of normal and inverse MnGa2O4 spinels / V. S. Zhandun, A. V. Nemtsev // J. Exp. Theor. Phys. - 2020. - Vol. 130, Is. 3. - P. 418-422, DOI 10.1134/S106377612002017X. - 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." . - ISSN 1063-7761. - ISSN 1090-6509
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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Публикация на русском языке Жандун, Вячеслав Сергеевич. Исследование в рамках подхода ab initio взаимосвязи структурных, магнитных и оптических свойств нормальных и обратных шпинелей MnGa2O4 [Текст] / В. С. Жандун, А. В. Немцев // Журн. эксперим. и теор. физ. - 2020. - Т. 157 Вып. 3. - С. 498-503

Держатели документа:
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Fed Res Ctr,Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Немцев, Андрей В.; Nemtsev, A. V.; Жандун, Вячеслав Сергеевич; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [18-42-243019]
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Bond formation effect on the g-factor of chalcogenide chromium spinels / V. N. Berzhanskii [et al.] // Fiz. Tverd. Tela. - 1982. - Vol. 24, Is. 3. - P. 945-948. - Cited References: 15 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

WOS

Доп.точки доступа:
Berzhanskii, V. N.; Бержанский, Владимир Наумович; Gavrichkov, S. A.; Гавричков, Сергей Александрович; Ivanov, V. I.; Kalinnikov, V. T.
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Comparison of negative magnetoresistance mechanisms in manganese perovskites and chromium spinels / V. A. Gavrichkov [et al.] // Phys. Solid State. - 1999. - Vol. 41, Is. 10. - P. 1652-1655, DOI 10.1134/1.1131064. - Cited References: 17 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Публикация на русском языке Сравнение механизмов отрицательного магнитосопротивления в марганцевых перовскитах и хромовых шпинелях [Текст] / В. А. Гавричков, Н. Б. Иванова, С. Г. Овчинников [и др.] // Физ. тверд. тела. - Санкт-Петербург, 1999. - Т. 41 Вып. 10. - С. 1800-1803

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, NS Kurnakov Gen & Inorgan Chem Inst, Moscow 117907, Russia
Krasnoyarsk State Tech Univ, Krasnoyarsk 660074, Russia
ИФ СО РАН

Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ivanova, N. B.; Иванова, Наталья Борисовна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Balaev, A. D.; Балаев, Александр Дмитриевич; Aminov, T. G.; Shabunina, G. G.; Chernov, V. K.; Petukhov, M. V.
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    Effects of processing parameters on the morphology, structure, and magnetic properties of Cu1-xFexCr2Se4 nanoparticles synthesized with chemical methods / R. D. Ivantsov [et al.] // J. Alloys Compd. - 2015. - Vol. 650. - P. 887-895, DOI 10.1016/j.jallcom.2015.08.017. - 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. . - ISSN 0925-8388
   Перевод заглавия: Влияние параметров получения на морфологию, структуру и магнитные свойства наночастиц Cu1-xFexCr2Se4, синтезированных химическими методами

РУБ Chemistry, Physical + Materials Science, Multidisciplinary + Metallurgy & Metallurgical Engineering
Рубрики:
CuCr2Se4 SINGLE-CRYSTALS
   TRANSPORT-PROPERTIES
   CHROMIUM SPINELS
   NANOSTRUCTURES
   DIFFRACTION
   Li
Кл.слова (ненормированные):
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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Держатели документа:
Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
National Pingtung University, Pingtung City, Pingtung County, Taiwan

Доп.точки доступа:
Ivantsov, R. D.; Иванцов, Руслан Дмитриевич; Edelman, I. S.; Эдельман, Ирина Самсоновна; Zharkov, S. M.; Жарков, Сергей Михайлович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Petrov, D. A.; Петров, Дмитрий Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Lin, C.-R.; Li, O.; Tseng, Y.-T.
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Berzhanskii, V. N.
Electron-paramagnetic-res relaxation in chromium chalcogenide spinels / V. N. Berzhanskii, S. A. GAVRICHKOV, V. I. IVANOV // Fiz. Tverd. Tela. - 1982. - Vol. 24, Is. 7. - P. 2215-2218. - Cited References: 8 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

WOS

Доп.точки доступа:
GAVRICHKOV, S. A.; IVANOV, V. I.; Бержанский, Владимир Наумович
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Features of the structure, microstructure, and magnetic properties of manganese-aluminum spinels obtained in various thermal treatment conditions / D. A. Balaev [et al.] // Phys. Solid State. - 2013. - Vol. 55, Is. 7. - P. 1401-1406, DOI 10.1134/S1063783413070056. - 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). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Публикация на русском языке Особенности структуры, микроструктуры и магнитных свойств марганец-алюминиевых шпинелей, полученных при различных условиях термообработки // Физика твердого тела. - 2013. - Т. 55, Вып. 7. - С. 1304-1309

Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, Boreskov Inst Catalysis, Novosibirsk 630090, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia

Доп.точки доступа:
Balaev, D. A.; Балаев, Дмитрий Александрович; Bulavchenko, O. A.; Dubrovskii, A. A.; Дубровский, Андрей Александрович; Tsybulya, S. V.; Cherepanova, S. V.; Gerasimov, E. Y.; Shaikhutdinov, K. A.; Шайхутдинов, Кирилл Александрович
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Nemtsev, I. V.
First-principle calculations of electronic, magnetic and optical properties of spinels MnFe2O4 and FeMn2O4 / I. V. Nemtsev, V. S. Zhandun, V. I. Zinenko // 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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Доп.точки доступа:
Zinenko, V. I. \progr. com.\; Зиненко, Виктор Иванович; Flerov, I. N. \org. com.\; Флёров, Игорь Николаевич; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Zinenko, V. I.; Немцев, Иван Васильевич; International Seminar on Ferroelastic Physics(9 ; 2018 ; Sept. ; 12-15 ; Voronezh); Международный семинар по физике сегнетоэластиков(9(14) ; 2018 ; сент. ; 12-15 ; Воронеж); Российская академия наук; Воронежский государственный технический университет
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10.

Magnetic order in FeCr2S4-type chalcogenide spinels / F. J. Berry [et al.] // J. Phys.: Condens. Matter. - 2007. - Vol. 19, Is. 26. - Ст. 266204, DOI 10.1088/0953-8984/19/26/266204. - Cited References: 15 . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
COLOSSAL-MAGNETORESISTANCE
TRANSITION
Кл.слова (ненормированные):
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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Держатели документа:
Open Univ, Dept Chem, Milton Keynes MK7 6AA, Bucks, England
Russian Acad Sci, AV Shubnikov Crystallog Inst, Moscow 119333, Russia
Univ Liverpool, Dept Phys, Liverpool L69 3BX, Merseyside, England
Russian Acad Sci, Inst Inorgan & Gen Chem, Moscow 119907, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Department of Chemistry, Open University, Walton Hall, Milton Keynes MK7 6AA, United Kingdom
A V Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninsky avenue 59, Moscow 119333, Russian Federation
Department of Physics, University of Liverpool, Liverpool L69 3BX, United Kingdom
Institute of Inorganic and General Chemistry, Russian Academy of Sciences, Leninsky avenue 31, Moscow 119907, Russian Federation
L V Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
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.; Воротынов, Александр Михайлович; Dubinskaya, Y. L.
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