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Zhandun, V. S.
Magnetic, magnetoelectric and electronic properties of spinels Co3O4, MnGa2O4 and CoAl2O4 / V. S. Zhandun, I. V. Nemtsev, V. I. Zinenko // 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. - Cited References: . - ISBN 978-5-9651-1144-2

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Доп.точки доступа:
Vtyurin, A. N. \org. comm.\; Втюрин, Александр Николаевич; Flerov, I. N. \progr. comm.\; Флёров, Игорь Николаевич; Nemtsev, I. V.; Немцев, Иван Васильевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Жандун, Вячеслав Сергеевич; Joint Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(14 ; May 14-18, 2018 ; St. Perersburg); Young scientists school on the spectroscopic(May 14-18, 2018 ; St. Perersburg); Физико-технический институт им. А.Ф. Иоффе РАН; Санкт-Петербургский политехнический университет им. Петра Великого
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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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Babkin, E. V.
Magnetoelectric effect in ferromanganese spinels / E. V. Babkin, E. S. Mushailov, V. G. Pynko // Zhurnal Tek. Fiz. - 1982. - Vol. 52, Is. 11. - P. 2285-2286. - Cited References: 6 . - ISSN 0044-4642

РУБ Physics, Applied

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Доп.точки доступа:
Mushailov, E.S.; Pynko, V. G.; Пынько, Виталий Григорьевич
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Valkov, V. V.
Phase-transition with valency changing in chalcogenide chromium spinels / V. V. Valkov, S. G. Ovchinnikov // Fiz. Tverd. Tela. - 1980. - Vol. 22, Is. 11. - P. 3418-3425. - Cited References: 18 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Val'kov, V. V.
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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.
The magnetic, electronic, optical, and structural properties of the AB2O4 (A = Mn, Fe, Co; B = Al, Ga, In) spinels: Ab initio study / V. S. Zhandun // J. Magn. Magn. Mater. - 2021. - Vol. 533. - Ст. 168015, DOI 10.1016/j.jmmm.2021.168015. - 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) . - ISSN 0304-8853
Кл.слова (ненормированные):
Ab initio calculations -- Spinel -- Magnetic and electronic properties -- Optical properties -- Bandgap width
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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Держатели документа:
Kirensky Institute of Physics – Federal Research Center “Krasnoyarsk Science Centre, Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Жандун, Вячеслав Сергеевич
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Zhandun, V. S.
The spin-state transition in ACo2O4 spinels (A = Be, Mg, Ca, Cd, Zn) / V. S. Zhandun, O. N. Draganyuk // J. Magn. Magn. Mater. - 2022. - Vol. 552. - Ст. 169206, DOI 10.1016/j.jmmm.2022.169206. - 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) . - ISSN 0304-8853
Кл.слова (ненормированные):
Ab initio calculations -- Spinels -- Cobalt ion -- Oxides -- Spin-state transition -- Thin films -- Pressure
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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Держатели документа:
Kirensky Institute of Physics - Federal Research Center “Krasnoyarsk Science Centre, Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Draganyuk, O. N.; Драганюк, Оксана Николаевна; Жандун, Вячеслав Сергеевич
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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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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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10.

Structural and magnetic resonance investigations of CuCr2S4 nanoclusters and nanocrystals / A. I. Pankrats [et al.] // J. Appl. Phys. - 2014. - Vol. 116, Is. 5. - Ст. 54302, DOI 10.1063/1.4891993. - 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). . - ISSN 0021-8979. - ISSN 1089-7550

РУБ Physics, Applied
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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Держатели документа:
SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Univ Alabama, MINT Ctr, Tuscaloosa, AL 35487 USA

Доп.точки доступа:
Pankrats, A. I.; Панкрац, Анатолий Иванович; Vorotynov, A. M.; Воротынов, Александр Михайлович; Tugarinov, V. I.; Тугаринов, Василий Иванович; Zharkov, S. M.; Жарков, Сергей Михайлович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Abramova, G. M.; Абрамова, Галина Михайловна; Zeer, G. M.; Ramasamy, K.; Gupta, A.; 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
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