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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aplesnin S. S., Udod L. V., Sitnikov M. N., Velikanov D. A., Molokeev M. S., Romanova O. B., Shabanov A. V.
Заглавие : Enhancement of ferromagnetism and ferroelectricity by oxygen vacancies in mullite Bi2Fe4O9 in the Bi2(Sn0.7Fe0.3)2O7-x matrix
Место публикации : J. Magn. Magn. Mater. - 2022. - Vol. 559. - Ст.169530. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2022.169530
Примечания : Cited References: 47
Аннотация: A new bismuth pyrostannate-based composite Bi2(Sn0.7Fe0.3)2O7-x/Bi2Fe4O9 (BSFO/BFO) has been obtained by the solid-state synthesis. Temperature dependences of the magnetic hysteresis and remanent magnetization and the nonlinear field dependence of the magnetization for the Bi2Fe4O9 antiferromagnet have been established. A temperature of the formation of canted sublattices in the antiferromagnet with the occurrence of a spontaneous moment in mullite has been determined. The mechanism of the electric polarization hysteresis and the temperature dependence of the remanent polarization have been established. It has been shown, that, below the Néel temperature, the dipole polarization is induced by a lone electron pair of bismuth ions. At T TN, the migration polarization is caused by the charge carrier density at the chemical potential. A significant increase in the remanent magnetization of mullite in the bismuth pyrostannate matrix with oxygen vacancies over a value typical of polycrystalline mullite has been established. Remanent magnetization is explained in terms of ferron model.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Aplesnin S. S., Udod L. V., Sitnikov M. N., Velikanov D. A., Romanova O. B.
Заглавие : Ferromagnetism induced by oxygen vacancies in mullite Bi2Fe4O9
Коллективы : Российская академия наук, Физико-технический институт им. Е.К. Завойского ФИЦ Казанского научного центра РАН, Казанский (Приволжский) федеральный университет, Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : VIII Euro-Asian symposium "Trends in magnetism" (EASTMAG-2022): Book of abstracts/ program com. S. G. Ovchinnikov [et al.]. - 2022. - Vol. 1, Sect.: Low dimensional magnetism. - Ст.C.O1. - P.327-328. - ISBN 978-5-94469-051-7
Примечания : Cited References: 3
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Knyazev Yu. V., Shishkina N. N., Bayukov O. A., Kirik N. P., Solovyov L. A., Zhizhaev A. M., Rabchevsky E. V., Anshits A. G.
Заглавие : Cation Distribution in the Composite Materials of the CaFe2O4-α-Fe2O3 Series
Коллективы : Russian Foundation for Basic Research; Government of the Krasnoyarsk Krai; Krasnoyarsk Regional Science Foundation [18-42-243011]; UMNIK program
Место публикации : J. Struct. Chem. - 2019. - Vol. 60, Is. 5. - P.763-771. - ISSN 0022-4766, DOI 10.1134/S0022476619050081. - ISSN 1573-8779(eISSN)
Примечания : Cited References: 25. - The study was performed with the financial support of the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Krai, the Krasnoyarsk Regional Science Foundation within the project No. 18-42-243011 "The effect of the composition and the defective structure of CaFe2O4 based "core-shell" composite materials on their electronic and catalytic properties" and the UMNIK program.
Предметные рубрики: PD/P-TYPE CAFE2O4
OXYGEN
CONDUCTIVITY
Аннотация: Structured composite materials CaFe2O4-α-Fe2O3 (α-Fe2O3 content is 2–82 wt.%) are obtained with the method of solid-phase synthesis at 1000 °C. The phase composition of the samples is studied using powder X-ray diffraction. It is shown that the content of CaFe2O4 and α-Fe2O3 phases changes linearly, depending on the composition of the starting material. The scanning electron microscopy data indicate the formation of a two-phase system α-Fe2O3-CaFe2O4. The Mössbauer spectroscopy data at room temperature testify the formation of cationic iron vacancies in the CaFe2O4 crystal structure in the absence of α-Fe2O3 structural defects. Cationic vacancies can be formed during the synthesis in the atmosphere of air.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Jun, Li, Mingze, Ning, Lixin, Zhang, Ruiling, Molokeev M. S., Zhao, Jing, Yang, Songqiu, Han, Keli, Xia, Zhiguo
Заглавие : Broad-Band Emission in a Zero-Dimensional Hybrid Organic [PbBr6] Trimer with Intrinsic Vacancies
Место публикации : J. Phys. Chem. Lett. - 2019. - Vol. 10, Is. 6. - P.1337-1341. - ISSN 1948-7185, DOI 10.1021/acs.jpclett.9b00238
Примечания : Cited References: 28. - This work was supported by the National Natural Science Foundation of China (Grant Nos. 51722202, 91622125, 51572023, 11574003, 21833009, and 21533010) and the Natural Science Foundation of Beijing (2172036). We were grateful to Prof. Keli Han for his support to supply the femtosecond transient absorption spectroscopy device.
Предметные рубрики: WHITE-LIGHT EMISSION
HALIDE PEROVSKITES
LUMINESCENCE
Аннотация: The understanding of broad-band emission mechanisms on low-dimensional metal halides is an urgent need for the design principle of these materials and their photoluminescence tuning. Herein, a new zero-dimensional (0D) organic–inorganic hybrid material (C9NH20)6Pb3Br12 has been discovered, in which face-sharing PbBr6 trimer clusters crystallize with organic cations (C9NH20+), forming periodic structure with 0D blocks. Broad-band green emission peaking at about 522 nm was observed for this material, with a full width at half-maximum (fwhm) of 134 nm. The emission was attributed to excitons trapped at controlled intrinsic vacancies, and this is the new example in 0D metal halides, also confirmed by spectroscopy analysis and first-principles calculations. Discovery of the single-crystalline hybrid material and observation of defect-induced luminescence extend the scope of bulk 0D materials and understanding of photophysical properties for optoelectronic applications.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Avramov P. V., Nikolaeva K. M., Mikhaleva N. S., Kovaleva E. A., Kuklin A. V., Fedorov A. S.
Заглавие : Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry
Место публикации : Comput. Mater. Sci.: Elsevier, 2016. - Vol. 112, Part A. - P.269-275. - ISSN 0927-0256, DOI 10.1016/j.commatsci.2015.11.002
Примечания : Cited References: 39. - The authors would like to thank Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; and L.V. Kirensky Institute of Physics of SB RAS, Krasnoyarsk, for providing the access to their supercomputers. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K).
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
MASSLESS DIRAC FERMIONS
GRAPHENE
VACANCIES
POINTS
GAS
Ключевые слова (''Своб.индексиров.''): bigraphene--spintronics--transition metal--adsorption--migration
Аннотация: First-row transition metal atoms adsorption on bigraphene monovacancy was studied within the framework of DFT in periodic boundary conditions. Electronic and magnetic properties of composites were analyzed and their potential utilization in spintronics was discussed. Barriers of metal atoms migration from bigraphene surface to the interlayer space through the vacancy were estimated in order to consider both thermodynamic and kinetic aspects of composites experimental preparation. Formation of metal atoms inner-sorbed on bigraphene was found to demand harsh synthesis conditions; whereas outer-sorbed composites demonstrate significantly higher degree of spin polarization which makes them perspective for usage in spintronic devices. © 2015 Elsevier B.V.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ma L., Xia Z., Atuchin V. V., Molokeev M. S., Auluck S., Reshak A. H., Liu Q.
Заглавие : Engineering oxygen vacancies towards self-activated BaLuAlxZn4-xO7-(1-x)/2 photoluminescent materials: An experimental and theoretical analysis
Место публикации : Phys. Chem. Chem. Phys.: Royal Society of Chemistry, 2015. - Vol. 17, Is. 46. - P.31188-31194. - ISSN 14639076 (ISSN), DOI 10.1039/c5cp05130d
Примечания : Cited References: 28. - The present work was supported by the National Natural Science Foundations of China (Grant No. 51572023, 51272242 and 51511130035), and Fundamental Research Funds for the Central Universities (FRF-TP-15-005A1). The author A. H. Reshak would like to acknowledge the CENTEM project, reg. no. CZ.1.05/2.1.00/03.0088, cofunded by the ERDF as part of the Ministry of Education, Youth and Sports OP RDI programme and, in the follow-up sustainability stage, supported through CENTEM PLUS (LO1402) by financial means from the Ministry of Education, Youth and Sports under the National Sustainability Programme I. Computational resources were provided by MetaCentrum (LM2010005) and CERIT-SC (CZ.1.05/3.2.00/08.0144) infrastructures. SA would like to thank CSIR-NPL and Physics Department IIT Delhi for financial support. This work was partly supported by the Russian Foundation for Basic Research (Grant No. 15-52-53080 GFEN_a). VVA was partly supported by the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: PHOSPHOR
LUMINESCENCE
EVOLUTION
OXIDES
IONS
Аннотация: Novel self-activated yellow-emitting BaLuAlxZn4-xO7-(1-x)/2 photoluminescent materials were investigated by a combined experimental and theoretical analysis. The effects of Al/Zn composition modulation, calcination atmosphere and temperature on the crystal structure and photoluminescence properties have been studied via engineering oxygen vacancies. Accordingly, BaLuAl0.91Zn3.09O7 prepared in an air atmosphere was found to be the stable crystalline phase with optimal oxygen content and gave a broad yellow emission band with a maximum at 528 nm. The self-activated luminescence mechanism is ascribed to the O-vacancies based on the density functional theory (DFT) calculation. A theoretical model originating from the designed oxygen vacancies has been proposed in order to determine the influence of O-vacancies on the band structure and self-activated luminescence. Therefore, the appearance of a new local energy level in the band gap will cause the wide-band optical transitions in the studied BaLuAlxZn4-xO7-(1-x)/2 materials.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Anan'eva Y. E., Fedorov A. S., Tomilin F. N., Krasnov P. O.
Заглавие : Quantum-chemical calculations on the stability and mobility of vacancies in graphene
Место публикации : Russ. J. Phys. Chem. A: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 86, Is. 7. - P.1088-1090. - ISSN 0036-0244, DOI 10.1134/S0036024412070126
Примечания : Cited References: 18
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
TRANSITION
POINTS
METALS
LAYERS
Ключевые слова (''Своб.индексиров.''): graphene--defects--quantum-chemical simulation--deformations
Аннотация: Thermodynamic stabilities of mono- and bivacancies in graphene for deformed and nondeformed lattices are estimated by means of quantum-chemical calculations. Monovacancy hopping constants are evaluated in dependence on the applied uniaxial deformations.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Popov Z. I., Fedorov D. A., Eliseeva N. S., Serjantova M. V., Kuzubov A. A.
Заглавие : DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures
Место публикации : Phys. Status Solidi B. - 2012. - Vol. 249, Is. 12. - P.2549-2552. - ISSN 0370-1972, DOI 10.1002/pssb.201200105
Примечания : Cited References: 32. - The work was supported by The Ministry of education and science of Russia, project 14.B37.21.0163. The authors express their gratitude to the Joint Supercomputer Center, Russian Academy of Sciences, Moscow and the supercomputer center of the Moscow State University (SKIF-MGU) for the possibility of using their computer clusters to perform all calculations.
Предметные рубрики: WALLED CARBON NANOTUBES
INITIO MOLECULAR-DYNAMICS
AB-INITIO
DEFECTS
STATE
MONOLAYER
POINTS
Ключевые слова (''Своб.индексиров.''): boron nitride--carbon silicide--elastic properties--graphene--magnetic properties--vacancies
Аннотация: Influence of ordered monovacancies on elastic properties of graphene is theoretically investigated by density functional theory (DFT) calculations. Inverse linear dependence of the graphene Young's modulus on the concentration of vacancies has been revealed and migration rate of the vacancies has been calculated as a function of applied strain. It is shown that the migration rate can be controlled by applying various strains or temperatures. The influence of ordered monovacancies on magnetic properties of graphene as well as graphene-like hexagonal carbon silicide (2D-SiC) and the boron nitride (h-BN) structures is investigated. It is established that the presence of vacancies in all systems yields the appearance of local magnetic moment. However, in 2D-SiC structure the magnetic moment occurs only in the case of a Si vacancy. Influence of the distance between vacancies on the ferromagnetic or anti-ferromagnetic ordering for all structures is established. (C) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Eliseeva N. S., Kuzubov A. A., Ovchinnikov S. G., Serzhantova M. V., Tomilin F. N., Fedorov A. S.
Заглавие : Theoretical study of the magnetic properties of ordered vacancies in 2D hexagonal structures: Graphene, 2D-SiC, and h-BN
Место публикации : JETP Letters. - 2012. - Vol. 95, Is. 11. - P.555-559. - ISSN 0021-3640, DOI 10.1134/S0021364012110045
Примечания : Cited References: 29
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
METALS
TRANSITION
DEFECTS
STATE
Аннотация: The magnetic properties of vacancies in 2D hexagonal structures-graphene and 2D-SiC and h-BN monolayers-have been studied. It has been found that a local magnetic moment exists in all listed systems in the presence of vacancies. However, in 2D hexagonal silicon carbide, the local magnetic moment appears only in the presence of silicon vacancy. In addition, the effect of the distance between vacancies in a monolayer on transitions between the ferromagnetic and antiferromagnetic states has been revealed.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Eliseeva N. S., Krasnov P. O., Tomilin F. N., Fedorov A. S., Tolstaya A. V.
Заглавие : Calculating the energy of vacancies and adatoms in a hexagonal SiC monolayer
Место публикации : Russ. J. Phys. Chem. A: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 86, Is. 7. - P.1091-1095. - ISSN 0036-0244, DOI 10.1134/S0036024412070138
Примечания : Cited References: 21
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
ELECTRONIC-PROPERTIES
ABSORPTION-SPECTRA
Ключевые слова (''Своб.индексиров.''): silicon carbide--defects--adatoms--density functional method
Аннотация: It is noted that the development of semiconductor SiC-electronics is prevented by a low quality of grown silicon carbide single crystals. It is found that structural defects of a substrate penetrating into an epitaxial layer upon subsequent homoepitaxial growth can considerably degrade a device's characteristics. We investigate the effect of the deformation of a hexagonal SiC monolayer on vacancy stability and material properties, and study the processes of silicon and carbon adatom migration over a surface of SiC.
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