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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuklin A. V., Kuzubov A. A., Eliseeva N. S., Tomilin F. N., Fedorov A. S., Krasnov P. O.
Заглавие : Theoretical investigation of the structure and properties of the VN(111) monolayer on the MgO(111) surface
Коллективы : Russian Foundation for Basic Research [12-02-31417mol_a_2012]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 56, Is. 2. - P.229-234. - ISSN 1063-7834, DOI 10.1134/S1063783414020164. - ISSN 1090-6460
Примечания : Cited References: 27. - This study was supported by the Russian Foundation for Basic Research (project no. 12-02-31417mol_a_2012).
Предметные рубрики: NANOCRYSTALLINE VANADIUM NITRIDE
INITIO MOLECULAR-DYNAMICS
1ST-PRINCIPLES
COATINGS
Аннотация: The VN(111) monolayer on the MgO(111) surface has been simulated and optimized in terms of the density functional theory (DFT) calculations. The most favorable arrangement of vanadium nitride on the surface of the magnesium oxide plate has been found. The band structure and densities of states for the VN(111) monolayer have been calculated. It has been concluded based on the densities of states for the VN monolayer on the MgO surface that this structure exhibits properties of a diluted magnetic semiconductor.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Smirnov M. B., Roginskii E. M., Kazimirov V. Y., Smirnov K. S., Baddour-Hadjean R., Pereira-Ramos J. P., Zhandun V. S.
Заглавие : Spectroscopic and computational study of structural changes in γ-LiV2O5 cathodic material induced by lithium intercalation
Место публикации : J. Phys. Chem. C: American Chemical Society, 2015. - Vol. 119, Is. 36. - P.20801-20809. - ISSN 1932-7447, DOI 10.1021/acs.jpcc.5b05540
Примечания : Cited References: 36. - This work was supported by the international collaboration program between the Centre National de la Recherche Scientifique (CNRS) of France and the Russian Foundation for Basic Research (RFBR), LIBASTRAM CNRS Project 6094, and RFBR Grant 13-03-91052.
Предметные рубрики: AUGMENTED-WAVE METHOD
LIXV2O5 SYSTEM
AB-INITIO
VANADIUM PENTOXIDE
RAMAN-SPECTROSCOPY
LI INTERCALATION
OXIDE
V2O5
TRANSITION
TRANSITION
Аннотация: Structure, electronic states, and vibrational dynamics of γ-LiV2O5 were studied by combined use of quantum-chemical calculations and Raman spectroscopy. The spin-polarized DFT+U calculations correctly mimic the structural changes induced by the Li intercalation into the V2O5 framework. The analysis of the density of electronic states shows that the electrons of Li atoms are transferred to the Vb atoms and are aligned in ferromagnetic order. The charge distribution in the system reflects the change of valence state of the Vb atoms from 5+ to 4+, and it is in line with changes of Vb–O bond lengths. The calculated Raman spectrum of the γ-LiV2O5 structure is in line with the experimental Raman spectra that allows a reliable assignment of all prominent Raman peaks. Comparison of the spectra of γ-LiV2O5 and γ'-V2O5 indicates spectral signatures of structural changes induced by the Li insertion into the γ'-V2O5 lattice. Results of the study present the opportunity of using Raman spectroscopy for characterization of structural modifications of the vanadate framework upon intercalation of guest species.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Loseva G. V., Ovchinnikov S. G., Balaev A. D., Kiselev N. I.
Заглавие : Metal-dielectric transitions, magnetism, and electronic structure in a system of manganese-doped vanadium sulfides
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2000. - Vol. 42, Is. 3. - P539-543. - ISSN 1063-7834, DOI 10.1134/1.1131245
Примечания : Cited References: 12
Предметные рубрики: TRANSPORT
Аннотация: The effect of the manganese doping of vanadium monosulfide in a system of the V1-xMnxS (0 x less than or equal to 0.3) solid solutions on their structure and thermal, electrical, and magnetic properties has been investigated. The metal-dielectric transitions are revealed in the studied ranges of concentrations and temperatures. These transitions are accompanied by a change in the magnetic properties. It is demonstrated that the correlation in changes of the electrical and magnetic properties of the sulfides under investigation is characteristic of the metal-dielectric transitions in strongly correlated systems. (C) 2000 MAIK "Nauka/Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kazak N. V., Gavriliuk A. G., Ovchinnikov S. G., Lyubutin I. S., Edel'man I. S., Rudenko V. V.
Заглавие : Evolution of the optical absorption spectra and electronic structure of the VBO3 crystal under high pressures
Коллективы : Russian Foundation for Basic Research [07-02-00490a, 08-02-00897a, 08-02-90708 mob_st, 09-02-00171a, 07-02-00226]; Federal Agency for Science and Innovation [MK-4278.2008.2, 01.164.12.HB11]; Russian Academy of Sciences
Место публикации : J. Exp. Theor. Phys. - 2009. - Vol. 109, Is. 3. - P.455-465. - ISSN 1063-7761, DOI 10.1134/S1063776109090118
Примечания : Cited References: 27. - We would like to thank A. D. Vasil'ev for performing the X-ray diffraction investigations.This study was supported by the Russian Foundation for Basic Research (project nos. 07-02-00490a, 08-02-00897a, 08-02-90708 mob_st, 09-02-00171a, and 07-02-00226), the Federal Agency for Science and Innovation (Rosnauka) (project no. MK-4278.2008.2, contract no. 01.164.12.HB11), and the Branch of Physical Sciences of the Russian Academy of Sciences within the framework of the program "Strongly Correlated Electrons."
Предметные рубрики: BAND-STRUCTURE
PHASE-TRANSITION
FEBO3
FE1-XVXBO3
STATE
MODEL
Ключевые слова (''Своб.индексиров.''): charge-transfer excitations--d-d transitions--ferromagnetic semiconductor--fundamental absorption edge--high pressure--optical absorption spectrum--absorption--boron--boron compounds--electronic properties--electronic structure--optical materials--oxygen--vanadium--light absorption
Аннотация: The evolution of optical absorption spectra of the ferromagnetic semiconductor VBO3 under high pressures up to 70 GPa has been investigated. It has been revealed that, below the fundamental absorption edge (E (g1) = 3.02 eV), the spectra exhibit a series of bands V1 (2.87 eV), V2 (2.45 eV), V3 (1.72 eV), and V4(1.21 eV) due to the d-d transitions in the V3+ ion and charge-transfer excitations. A model of the electronic structure of the VBO3 semiconductor has been constructed. This model combines the one-electron description of the s and p states of boron and oxygen and the many-electron description of the vanadium d states.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : LOSEVA G. V., MUKOED G. M., KLIMENKO A. G., KISELEV N. I.
Заглавие : LOW-TEMPERATURE ANOMALIES OF ELECTRIC AND MAGNETIC-PROPERTIES OF VANADIUM MONOSULFIDE
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1989. - Vol. 31, Is. 8. - P288-289. - ISSN 0367-3294
Примечания : Cited References: 7
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Babkin E. V., Petrakovskii G. A., Charyev A. A.
Заглавие : Anomalous features of the conductivity and of the galvanomagnetic properties of vanadium dioxide in strong electric-fields
Место публикации : JETP Letters. - 1986. - Vol. 43, Is. 11. - P.697-700. - ISSN 0021-3640
Примечания : Cited References: 5
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Loseva G. V., Abramova G. M., Ovchinnikov S. G.
Заглавие : Metal-nonmetal transition in vanadium monosulfide
Место публикации : Fiz. Tverd. Tela: Mezhdunarodnaya kniga, 1983. - Vol. 25, Is. 10. - P3165-3167. - ISSN 0367-3294
Примечания : Cited References: 8
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bogdanov E. V., Pogoreltsev E. I., Gorev M. V., Molokeev M. S., Flerov I. N.
Заглавие : Effect of Deuteration on Phase Transitions in Vanadium Dioxotetrafluoride
Место публикации : Phys. Solid State. - 2019. - Vol. 61, Is. 2. - P.192-200. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783419020082
Примечания : Cited References: 35. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project: "Effect of deuterium on orientational ordering and phase transitions in ammonium fluorine oxygen vanadates," no. 18-42-243003.
Аннотация: The crystals of (ND4)3VO2F4 with a high degree of deuteration (~87%) have been grown and a significant (~1.5%) increase in the unit cell volume has been detected. The decrease in the chemical pressure leads to a change in the sequence of phase transitions due to wedging-out of one of the rhombic phases observed in (NH4)3VO2F4. The thermal physical studies have been carried out and the entropies, deformations, and pressure coefficients related to structural transformations have been determined. The T–p phase diagram has been built and the pressure and temperature boundaries of crystal phase stability have been determined. The dielectric studies demonstrate a nonferroelectric nature of the phase transitions in (ND4)3VO2F4. The experimental and model entropies are compared. Based on the decrease in the entropy as a result of deuteration, a hypothesis on significant but not limited anharmonism of vibrations of ammonia tetrahedral corresponding to the disordering is proposed.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kazak N. V., Rudenko V. V., Gromilov S. A., Ovchinnikov S. G., Knyazev Yu. V.
Заглавие : Structural, magnetic and electronic properties of vanadium-substituted iron warwickite
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.H.P4. - P.79-80. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 4. - Support by the Russian Foundation for Basic Research, Russia (project no. 17-02-00826-a) and Council for Grants of the President of the Russian Federation SP-1334.2019.5 is acknowledged
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Begunovich L. V., Kuklin A. V., Visotin M. A., Kuzubov A. A., Tomilin F. N., Tarasov A. S., Mikhalev Y. G., Avramov P. V.
Заглавие : Triple VTe2/graphene/VTe2 heterostructures as perspective magnetic tunnel junctions
Место публикации : Appl. Surf. Sci. - 2020. - Vol. 510. - Ст.145315. - ISSN 01694332 (ISSN), DOI 10.1016/j.apsusc.2020.145315
Примечания : Cited References: 67. - This work was supported by the government contract of the Ministry of Science and Higher Education of the Russian Federation to Siberian Federal University (Grant No. 16.1455.2017/PCh ) and Russian Foundation for Basic Research , Government of Krasnoyarsk Territory , Krasnoyarsk Regional Fund of Science to the research project: “Quantum chemical modeling of Bychkov-Rashba interfaces based on transition metal compounds and nanoscaled organic fragments”. P.V.A. and A.V.K. gratefully acknowledges the financial support of National Research Foundation of Republic of Korea for support under Grant No. NRF-2017R1A2B4004440 . A.V.K. also acknowledges the US Air Force Office of Scientific Research (contract FA-9550-18-1-0032) for support. The authors would like to thank Information Technology Center, Novosibirsk State University, Institute of Computational Modelling of SB RAS, Krasnoyarsk for providing the access to supercomputer facilities, and Irkutsk Supercomputer Center of SB RAS for providing the access to HPC-cluster “Akademik V.M. Matrosov” (Irkutsk Supercomputer Center of SB RAS, Irkutsk: ISDCT SB RAS; http://hpc.icc.ru, accessed 13.05.2019 )
Аннотация: New perspective 1.4 nm thick spin-polarized triple heterostructures based on graphene sandwiched between two vanadium ditelluride monolayers (VTe2/graphene/VTe2) were studied using ab initio DFT technique. Both possible trigonal prismatic (H-VTe2) and octahedral (T-VTe2) VTe2 phases were considered to design and study graphene-based heterostructures. It was shown that the interaction with graphene changes the electronic structure of 2D T-VTe2 from metallic to half-metallic, making T phase perspective to be used for magnetic tunnel junctions. The electronic subsystem of graphene fragment is slightly hole doped. Calculated tunnel magnetoresistance ratio for the favorable heterostructure configuration estimated within the Julliere model is 220%, which opens a way to use VTe2/graphene/VTe2 as prospective magnetic tunnel junction in novel spintronic nanodevices based on tunnel magnetic resistance and spin transfer torque effects.
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