Главная
Авторизация
Фамилия
Пароль
Регистрация
Библиотека института физики им. Л.В. Киренского СО РАН
Базы данных
Труды сотрудников ИФ СО РАН - результаты поиска
Вид поиска
Каталог книг и брошюр библиотеки ИФ СО РАН
Каталог журналов библиотеки ИФ СО РАН
Труды сотрудников ИФ СО РАН
Область поиска
Ключевые слова
Автор
Заглавие
Год издания
Место работы автора
в найденном
Найдено в других БД:
Каталог книг и брошюр библиотеки ИФ СО РАН (4)
Формат представления найденных документов:
полный
информационный
краткий
Отсортировать найденные документы по:
автору
заглавию
году издания
типу документа
Поисковый запрос:
(<.>A=Zhandun, V. S.$<.>)
Общее количество найденных документов
:
108
Показаны документы
с 1 по 20
1.
Comparative study of
PbTiO3 and SrTiO3 (100) thin films lattice dynamics and ferroelectric properties in a nonempirical model of polarizable ions / V. S.
Zhandun
, V. I. Zinenko> // Ferroelectrics. - 2011. -
Т. 412
,
№ 1
. - P. 23-31,
DOI
10.1080/00150193.2011.542691 . - ISSN 0015-0193. - ISSN 1563-5112
РИНЦ
Держатели документа:
L.V. Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
Доп.точки доступа:
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович
}
Найти похожие
2.
Draganyuk, O. N.
Effect of substitution of Mn and Ga atoms by Fe atom in the Mn2GaC MAX phase / O. N. Draganyuk, N. G. Zamkova, V. S.
Zhandun
> // J. Magn. Magn. Mater. - 2022. -
Vol. 563
. - Ст. 169860,
DOI
10.1016/j.jmmm.2022.169860. - Cited References: 40. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project № 20-42-240004: “The effect of the composition, pressure, and dimension on the magnetic, electronic, optical, and elastic properties of the magnetic M n+1 AX n (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 ). The ternary phase diagrams for the calculation of formation enthalpies were taken from Materials Project ( https://materialsproject.org ) and OQMD ( https://oqmd.org/ ) databases . - ISSN 0304-8853
Кл.слова (ненормированные):
MAX phases
--
First-principle calculations
--
Doping
--
Magnetic properties
--
Ferromagnetism
--
Monte-Carlo simulations
Аннотация:
The magnetic properties of ordered and disordered MAX-phase Mn2-xFe2xGaC and Mn2Ga1-xFexC (x = 12.5, 25, and 50 at.%) have been studied within DFT-GGA. The investigation of phase stability of M2AX phases is performed by comparing the total energy of MAX phases to that of the set of competitive phases for calculation of the phase formation enthalpy. At the small concentration of Fe atoms (x = 12.5 %) compound remains stable. We have found that introducing Fe atom at A-site leads to the forming of ferromagnetic phase with large magnetic moments on magnetic atoms and magnetization. Through detailed group-theoretical analysis we have obtained that only ferromagnetic ordering is possible when Fe atom ordering over Ga sites. The study of exchange constants shows that the out-of-plane Fe-Mn exchange gives the main contribution in appearance of ferromagnetic phase. The temperature dependences of magnetization reveal the increase of Curie temperature in Mn2GaC with Fe atom incorporated into Ga-site.
Смотреть статью
,
Scopus
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal Univercity, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Драганюк, Оксана Николаевна
}
Найти похожие
3.
Draganyuk, O. N.
Effect of the Local Environment on the Magnetic Properties of Mn3Si: Hybrid Ab Initio and Model Study / O. N. Draganyuk, V. S.
Zhandun
, N. G. Zamkova> // Phys. Status Solidi B. - 2019. -
Vol. 256
,
Is. 12
. - Ст. 1900228,
DOI
10.1002/pssb.201900228. - Cited References: 34. - 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 0370-1972
Кл.слова (ненормированные):
ab initio calculations
--
magnetic properties
--
magnetic-instability boundaries
--
manganese silicides
--
mapping
--
multiorbital model
Аннотация:
The effect of the local environment on the formation of magnetic moments on Mn atoms in manganese silicide Mn3Si is studied by the combination of ab initio calculations and the model analysis. The suggested approach is related to the self-consistent mapping of the results of ab initio calculations to a multiorbital model. The model analysis allows to reveal the role played by the local environment of the transition metal atoms on the magnetic moments formation. It is found that the formation of the magnetic moment is controlled rather by hopping parameters between Mn atoms, not by the number of Mn–Si nearest neighbors. Particularly, the formation of magnetic moment on MnI atom is mainly controlled by the hopping parameter between nearest Mn atoms, while the magnetic moment on MnII atom is primarily determined by the hoppings between next-nearest Mn atoms. The obtained phase diagrams of the magnetic state show the presence of a sharp boundary with respect to the hopping between Mn atoms. This opens the opportunity to turn on or turn off the magnetic state by the external impacts. The ab initio calculations of Mn3Si well agree with the results of model consideration and confirm the model conclusions.
Смотреть статью
,
Scopus
,
WOS
,
Читать в сети ИФ
Держатели документа:
Kirensky Institute of Physics, Federal Research Center Krasnoyarsk Science Centre, Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian State University of Science and Technology, Krasnoyarsk, 660037, Russian Federation
Доп.точки доступа:
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Драганюк, Оксана Николаевна
}
Найти похожие
4.
Draganyuk, O. N.
Half-metallicity in Fe2MnSi and Mn2FeSi heusler compounds: A comparative ab initio study / O. N. Draganyuk, V. S.
Zhandun
, N. G. Zamkova> // Mater. Chem. Phys. - 2021. -
Vol. 271
. - Ст. 124897,
DOI
10.1016/j.matchemphys.2021.124897. - Cited References: 33. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects No19-42-240016: «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 0254-0584
Кл.слова (ненормированные):
ab initio calculations
--
Heusler alloys
--
Magnetic properties
--
Half-metal
--
Pressure dependence
Аннотация:
First-principles calculations of the structural, electronic, and magnetic properties of full-Heusler compounds Fe2MnSi and Mn2FeSi in regular L21 and inverse XA structures have been performed using density functional theory (DFT) within generalized gradient approximation (GGA) and SCAN functionals. All compounds indicate half-metallic properties with the minority spin bandgap. The causes for the appearance of half-metallic bandgap and the difference in the electronic and magnetic properties of Heusler compounds were studied and analyzed in terms of the local environment. It is shown, that the half-metallic bandgap determines by the behavior of the t2g-electrons of A- and C-sites atoms. The behavior of the compounds under pressure was also considered. The high sensitivity of the magnetic moments on atoms A, C and the bandgap to pressure is discussed. The transition from regular to inverse structure is predicted at the negative pressure.
Смотреть статью
,
Scopus
,
WOS
,
Читать в сети ИФ
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:
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Драганюк, Оксана Николаевна
}
Найти похожие
5.
Draganyuk, O. N.
Magnetic, electronic, optical and elastic properties of magnetic (MnxFe1-x)2 (GayAl1-y)C MAX phases / O. N. Draganyuk, V. S.
Zhandun
> //
International workshop on the properties of functional MAX-materials (2nd FunMax) : book of abstracts / org. com. M. Farle [et al.]. - 2021. - P. 19
Материалы конференции
,
Читать в сети ИФ
Доп.точки доступа:
Farle, M. \org. com.\; Ovchinnikov, S. G. \org. com.\; Овчинников, Сергей Геннадьевич; Tarasov, A. S. \org. com.\; Тарасов, Антон Сергеевич; Smolyarova, T. E. \org. com.\; Смолярова, Татьяна Евгеньевна;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Драганюк, Оксана Николаевна; International workshop on functional MAX-materials(2 ; 2021 ; Sept. 14-17 ; Krasnoyarsk (on-line)); Kirensky Institute of Physics; Siberian Federal Univercity
}
Найти похожие
6.
Draganyuk, O. N.
The formation of ferromagnetic order in the fE-doped max phase Mn2GaC / O. N. Draganyuk, N. G. Zamkova, V. S.
Zhandun
> //
VIII Euro-Asian symposium "Trends in magnetism" (EASTMAG-2022) : Book of abstracts / program com. S. G. Ovchinnikov [et al.]. - 2022. -
Vol. 2
,
Sect. O
: MAX materials. - Ст. O.O2. - P. 480-481. - Cited References: 3. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project № 20-42-240004 . - ISBN 978-5-94469-051-7
Материалы симпозиума
,
Читать в сети ИФ
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
Siberian Federal University, Krasnoyarsk, Russia
Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Драганюк, Оксана Николаевна; 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"(8 ; 2022 ; Aug. ; 22-26 ; Kazan); "Trends in MAGnetism", Euro-Asian Symposium(8 ; 2022 ; Aug. ; 22-26 ; Kazan)
}
Найти похожие
7.
Effect of electron
correlations on the Fe3Si and α- FeSi2 band structure and optical properties / I. Sandalov [et al.]> // Phys. Rev. B. - 2015. -
Vol. 92
,
Is. 20
. - Ст. 205129,
DOI
10.1103/PhysRevB.92.205129. - Cited References:69. - The theoretical part of this work was supported by Russian Fund of Basic Research, Grant No. 14002-00186 and the President of Russia Grants No. 2886.2014.2 and No. 924.2014.2 for support of Leading Scientific School. The calculations were performed with the computer resources of NRC "Kurchatov Institute" (ui2.computing.kiae.ru). The experimental work was supported by Russian Fund of Basic Research, Grant No. 13-02-01265. I.S. thanks A. Ruban for useful discussion. . - ISSN 1098-0121. - ISSN 1550-235X
Перевод заглавия:
Влияние электронных корреляций на зонную структуру и оптические свойства Fe3Si и alpha-FeSi2
РУБ
Physics, Condensed Matter
Рубрики:
DENSITY-FUNCTIONAL THEORY
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
BASIS-SET
METALS
ABSORPTION
EMISSION
SURFACES
ALLOYS
LAYERS
Аннотация:
We use the Vienna ab initio simulation package (vasp) for evaluation of the quasiparticle spectra and their spectral weights within Hedin's GW approximation (GWA) for Fe3Si and α-FeSi2 within the non-self-consistent one-shot approximation G0W0 and self-consistent scGWA with the vertex corrections in the particle-hole channel, taken in the form of two-point kernel. As input for G0W0, the band structure and wave functions evaluated within the generalized gradient corrected local-density approximation to density functional theory (GGA) have been used. The spectral weights of quasiparticles in these compounds deviate from unity everywhere and show nonmonotonic behavior in those parts of bands where the delocalized states contribute to their formation. The G0W0 and scGWA spectral weights are the same within 2%–5%. The scGWA shows a general tendency to return G0W0 bands to their GGA positions for the delocalized states, while in the flat bands it flattens even more. Variable angle spectroscopic ellipsometry measurements at T=296 K on grown single-crystalline ∼50-nm-thick films of Fe3Si on n-Si(111) wafer have been performed in the interval of energies ω∼(1.3–5) eV. The comparison of G0W0 and scGW theory with experimental real and imaginary parts of permittivity, refractive index, extinction and absorption coefficients, reflectivity, and electron energy loss function shows that both G0W0 and scGW qualitatively describe experiment correctly, the position of the low-energy peaks is described better by the scGW theory, however, its detailed structure is not observed in the experimental curves. We suggest that the angle-resolved photoemission spectroscopy experiments, which can reveal the fine details of the quasiparticle band structure and spectral weights, could help to understand (i) if the scGWA with this type of vertex correction is sufficiently good for description of these iron silicides and, possibly, (ii) why some features of calculated permittivity are not seen in optical experiments.
Смотреть статью
,
Scopus
,
WOS
,
Читать в сети ИФ
Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
Siberian Aerosp Univ, Inst Space Investigat & High Technol, Krasnoyarsk 660037, Russia.
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Sandalov, I. S.; Сандалов, Игорь Семёнович; Zamkova, N. G.; Замкова, Наталья Геннадьевна;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Tarasov, I. A.; Тарасов, Иван Анатольевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Yakovlev, I. A.; Яковлев, Иван Александрович; Solovyov, L. A.; Соловьев, Леонид Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Russian Fund of Basic Research [14002-00186, 13-02-01265]; President of Russia Grants [2886.2014.2, 924.2014.2]
}
Найти похожие
8.
Effect of local
environment on moment formation in iron silicides / N. G. Zamkova [et al.]> // J. Alloys Compd. - 2017. -
Vol. 695
. - P. 1213-1222,
DOI
10.1016/j.jallcom.2016.10.248. - Cited References: 40. - This work was supported by the Grants of Russian Foundation for Basic Research № 14-02-00186, № 17-02-00161 and by the Grants of Russian Foundation for Basic Research and Government of Krasnoyarsk Territory № 16-42-243035, 16-42-242036. The authors would like to thank AS Shinkorenko for the technical support. . - ISSN 0925-8388
Перевод заглавия:
Влияние локального окружения на формирование магнитного момента в силицидах железа
Кл.слова (ненормированные):
Ab initio calculations
--
Iron silicides
--
Magnetic properties
--
Multiorbital model
--
Spin-crossover
Аннотация:
he effect of local environment on the formation of magnetic moments on Fe atoms in iron silicides is studied by combination of ab initio and model calculations. The suggested model includes all Fe d- and Si p-orbitals, intra-atomic Coulomb interactions, inter-atomic Fe-Fe exchange and hopping of electrons to nearest and next nearest neighboring atoms. The parameters of the model are found from the requirement that self-consistent moments on atoms and density of states found from ab initio and model calculations within the Hartree-Fock approximation are close to each other as much as possible. Contrary to the commonly accepted statement that in the ordered Fe3Si and FexSi1−x alloys an increase of the Si concentration within nearest environment of Fe atoms results in a decrease of Fe magnetic moment we find that a crucial role in the formation of magnetic moments is played by the second coordination sphere of Fe atoms. Particularly, the Fe atoms have higher magnetic moments in amorphous films compared to the epitaxial ones due to decreasing the number of iron-atoms in the next nearest environment. Both our model and ab initio calculations confirm existence of known spin crossover with pressure and predict second crossover at higher pressure.
Смотреть статью
,
Scopus
,
WOS
,
Читать в сети ИФ
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50, Krasnoyarsk, Russian Federation
National Research Nuclear University MEPhI, Kashurskoe sh. 31, Moscow, Russian Federation
Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Sandalov, I. S.; Сандалов, Игорь Семёнович
}
Найти похожие
9.
Effect of Sr2+
ion substitution by the triva- lent ions (Sc3+,In3+,La3+,Bi3+) on the ferroelectric instability in SrTi03 [Text] / N. G. Zamkova, V. S.
Zhandun
, V. I. Zinenko> //
12th European Meeting on Ferroelectricity : Abstracts. - 2011. - Ст. 1-4
Доп.точки доступа:
Zamkova, N.G.;
Zhandun
, V.S.; Zinenko, V.I.; European Meeting on Ferroelectricity(12 ; 2011 ; 26 June - 1 July ; Bordeaux, France)
}
Найти похожие
10.
Electronic and magnetic
states of Fe ions in Co2FeBO5 / Y. V. Knyazev, N. V. Kazak, V. S.
Zhandun
[et al.]> // Dalton Trans. - 2021. -
Vol. 50
,
Is. 28
. - P. 9735-9745,
DOI
10.1039/d1dt00125f. - Cited References: 41. - The authors acknowledge Prof. I. S. Lyubutin for helpful discussions and a critical reading of the manuscript. This research is funded by the Russian Foundation for Basic Research (project no. 20-02-00559 and 21-52-12033), the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science (project no. 19-42-240016) and the President Council on Grants (project no. MK-2339.2020.2). The authors acknowledge financial support from the Spanish Ministry of Economy, Industry and Competitiveness (MINECO Grant No. MAT2017-83468-R and from the regional Government of Aragon (E12-20R RASMIA project) . - ISSN 1477-9226. - ISSN 1477-9234
РУБ
Chemistry, Inorganic & Nuclear
Рубрики:
TOTAL-ENERGY CALCULATIONS
CRYSTAL-STRUCTURE
SINGLE-CRYSTALS
Аннотация:
The ludwigite Co2FeBO5 has been studied experimentally using 57Fe Mössbauer spectroscopy and theoretically using DFT + GGA calculations. The room-temperature Mössbauer spectra are composed of four quadrupole doublets corresponding to the high-spin Fe3+ ions in octahedral oxygen coordination. All components undergo splitting below 117 K due to the magnetic hyperfine fields. The DFT + GGA calculations performed for three models of Fe ion distributions have revealed that the ground state corresponds to the “Fe4(HS)” model with the high-spin Fe3+ ions located at the M4 site and the high-spin Co2+ ions located at the M1, M2, and M3 sites. A ferrimagnetic ground state, with the Co and Fe magnetic moments being nearly parallel to the b-axis and a total magnetic moment of circa 1.1μB f.u.−1, was found. The other Fe distributions cause an increase in the local octahedral distortions and transformation of the spin state. The calculated quadrupole splitting values are in good agreement with the experimental values obtained by Mössbauer spectroscopy.
Смотреть статью
,
Scopus
,
WOS
,
Читать в сети ИФ
Держатели документа:
RAS, SB, KSC, Kirensky Inst Phys,Fed Res Ctr, Krasnoyarsk 660036, Russia.
CSIC, Univ Zaragoza, Inst Nanociencia & Mat Aragon, Zaragoza 50009, Spain.
Dept Fis Mat Condensada, Zaragoza 50009, Spain.
Univ Zaragoza, Serv Medidas Fis, Zaragoza 50009, Spain.
Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia.
Доп.точки доступа:
Knyazev, Yu. V.; Князев, Юрий Владимирович; Kazak, N. V.; Казак, Наталья Валерьевна;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Bartolome, J.; Arauzo, A.; Belskaya, N. A.; Bayukov, O. A.; Баюков, Олег Артемьевич; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [20-02-00559, 21-52-12033]; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science [19-42-240016]; President Council on Grants [MK-2339.2020.2]; Spanish Ministry of Economy, Industry and Competitiveness (MINECO) [MAT2017-83468-R]; regional Government of Aragon (RASMIA project) [E12-20R]
}
Найти похожие
11.
Electronic structure and
magnetic properties of iron silicides / S. G. Ovchinnikov, V. S.
Zhandun
, N. G. Zamkova [et al.]> //
The Fifth Asian School-Conference on Physics and Technology of Nanostructured Materials : Proceedings. - VLadivostok : Dalnauka Publishing, 2020. - Ст. PS.03.04i. - P. 26 . - ISBN 978-5-8044-1698-1
Материалы конференции
,
Читать в сети ИФ
Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Maximova, O. A.; Максимова, Ольга Александровна; Lyashchenko, S. A.; Лященко, Сергей Александрович; Vysotin, M. A.; Высотин, Максим Александрович; Sandalov, I. S.; Сандалов, Игорь Семёнович; Asian School-Conference on Physics and Technology of Nanostructured Materials(5 ; 2020 ; 30 Jul - 3 Aug ; Vladivostok); Азиатская школа-конференция по физике и технологии наноструктурированных материалов(5 ; 2013 ; 30 июля - 3 авг. ; Владивосток)
}
Найти похожие
12.
Ferroelectric and structural
instability in double perovskites Me1+Bi3+Me3+Nb5+O6 (Me1+ = Na, K, Rb; Me3+ = Sc, Ga, In, Lu) / V. I. Zinenko [et al.]> // J. Exp. Theor. Phys. - 2012. -
Vol. 114
,
Is. 6
. - P. 955-962,
DOI
10.1134/S1063776112040188. - Cited References: 7. - This work was supported by the Russian Foundation for Basic Research (project no. 09-02-00067) and by the program for the support of leading scientific schools (project no. NSh-4645.2010.2). . - ISSN 1063-7761
РУБ
Physics, Multidisciplinary
Аннотация:
Within the Gordon-Kim generalized model with regard to the polarizabilities of ions, the lattice constants, the high-frequency permittivity, the Born dynamic charges, and the vibration constants of the crystal lattice are calculated for cation-ordered double perovskites Me1+Bi3+Me3+Nb5+O6. The vibration spectra of all the compounds exhibit two types of instabilities: instability associated with the rotation of the oxygen octahedron and ferroelectric instability. Various combinations of distortions with respect to the rotation mode yield five energetically most favorable distorted phases. The symmetry and the energy characteristics of these phases are discussed. In four of the five phases, the distortions associated with the oxygen octahedron rotation lead to polar phases, thus allowing one to speak of improper ferroelectricity in these compounds. One phase turns out to be nonpolar; however, it contains unstable polar modes such that a displacement along the eigenvectors of these modes gives rise to polarization in the crystal.
Смотреть статью
,
WoS
,
Читать в сети ИФ
Публикация на русском языке
Сегнетоэлектрическая и структурная неустойчивости в двойных перовскитах Me1+Bi3+Me3+Nb5+O6 (Me1+ = Na, K, Rb; Me3+ = Sc, Ga, In, Lu) [Текст] / В. И. Зиненко [и др.] // Ж. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 6. - С. 1093-1101
Держатели документа:
[Zinenko, V. I.
Zamkova, N. G.
Zhandun
, V. S.
Pavlovskii, M. S.] Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Zamkova, N. G.; Замкова, Наталья Геннадьевна;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Pavlovskii, M. S.; Павловский, Максим Сергеевич
}
Найти похожие
13.
Inducing magnetism in
non-magnetic α-FeSi2 by distortions and/or intercalations / V.
Zhandun
[et al.]> // Phys. Chem. Chem. Phys. - 2019. -
Vol. 21
,
Is. 25
. - P. 13835-13846,
DOI
10.1039/c9cp02361e. - Cited References: 27. - The reported study was funded by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects No 17-42-240212: "Quantum-mechanical simulation of the physical properties of correlated electron materials to improve their functional characteristics" and 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 1463-9076. - ISSN 1463-9084
РУБ
Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
TOTAL-ENERGY CALCULATIONS
WAVE
FeSi2
Аннотация:
By means of hybrid ab initio + model approach we show that the lattice distortions in non-magnetic α-FeSi2 can induce a magnetic state. However, we find that the distortions required for the appearance of magnetism in non-magnetic α-FeSi2 are too large to be achieved by experimental fabrication of thin films. For this reason we suggest a novel way to introduce magnetism in α-FeSi2 using “chemical pressure” that is, intercalating the α-FeSi2 films by light elements. Theoretical study of the distortions resulting from intercalation reveals that the most efficient intercalants for formation of magnetism and a high spin polarization are lithium, phosphorus and oxygen. Investigation of the dependency of the magnetic moments and spin polarisation on the intercalation atoms concentration shows that the spin polarization remains high even at small concentrations of intercalated atoms, which is extremely important for modern silicate technology.
Смотреть статью
,
Scopus
,
WOS
,
Читать в сети ИФ
Держатели документа:
Russian Acad Sci, Krasnoyarsk Sci Ctr, Fed Res Ctr, Kirensky Inst Phys,Siberian Branch, Krasnoyarsk 660036, Russia.
Kungliga Tekn Hogskolan, SE-10044 Stockholm, Sweden.
Доп.точки доступа:
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Korzhavyi, Pavel; Sandalov, I. S.; Сандалов, Игорь Семёнович; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science [17-42-240212, 18-42-243019]
}
Найти похожие
14.
International workshop on
actual problems of condensed matter physics : Program. Book of abstracts / Fed. Res. Center KSC SB RAS, Kirensky Inst. of phys., Sib. Fed. Univ. ; предс. прогр. ком. S. G. Ovchinnikov. - Krasnoyarsk : [s. n.], 2017. - 30 p.
Содержание:
Bondarev, I. A. Magnetic and transport properties of the epitaxial Fe3Si film on a Si substrate
/ I. A. Bondarev. -
P
.25
Yakovlev, I. A. The magnetic anisotropy of the Fe and Fe(1-x)Si(x) thin films depend on
/ I. A. Yakovlev [и др.]. -
P
.12
Другие авторы: Belyaev B. A., Rautskii M. V., Tarasov, I. A., Varnakov S. N, Ovchinnikov, S. G.
Popkov, S. I. Inverted opals as the Josephson networks of weak links
: Invited / S. I. Popkov [и др.]. -
P
.24
Другие авторы: Gokhfeld D. M., Bykov A., Mistonov A., Shabanov A., Terentiev K.
Nikolaev, S. Electronic structure and Fermi surface within the cluster perturbation theory in X-operators representation
: Invited / S. Nikolaev, V. I. Kuz'min, S. G. Ovchinnikov. -
P
.27
Fedorov, A. S. DFT investigation of electronic and optical magnetic properties of one dimensional transition metal halide structuresTmHaI3
: Invited / A. S. Fedorov [и др.]. -
P
.20
Другие авторы: Kuzubov A. A., Kovaleva E. A., Popova M. I., Kholtobina A. S., Mikhaleva N. S., Visotin M. A.
Ovchinnikov, S. G. Effect of interatomic exchange interaction on spin crossover and Mott-Hubbard transition under high pressure and the physical properties of the low Earth’s mantle
: Invited / S. G. Ovchinnikov [и др.]. -
P
.26
Другие авторы: Orlov Yu. S., Nikolaev S., Nesterov A., Ovchinnikova T.
Tarasov, I. A. Extremely high magnetic-field sensitivity of charge transport in the Mn/SiO2/p-Si hybrid structure
/ I. A. Tarasov [и др.]. -
P
.21
Другие авторы: Smolyakov D. A., Rautskii M. V., Lukyanenko A. V., Yakovlev I. A., Ovchinnikov S. G., Volkov N. V.
Volkov, N. V. Marnetic-field sensitivity of charge transport in silicon-based hybrid structures
: Invited / N. V. Volkov [et al.]. -
P
.10
Другие авторы: Tarasov A. S., Rautskii M. V., Lukyanenko A. V., Varnakov S. N., Bondarev I. A., Ovchinnikov S. G.
Lukyanenko, A. V. Fabrication of multi-terminal planar devices based on epitaxial Fe1-xSix films grown on Si(111)
/ A. V. Lukyanenko, A. S. Tarasov, I. A. Tarasov [et al.] ; A. V. Luyanenko [и др.]. -
P
.28
Другие авторы: Tarasov A. S., Tarasov I. A., Bondarev I. A., Smolyarova T. E., Yakovlev I. A., Volochaev M. N., Varnakov S. N., Ovchinnikov S. G., Volkov N. V.
Rautskii, M. V. Magnetic field-driven lateral photovoltaic effect in the Fe/SiO2/p-Si hibrid structure with the Scottky barrier
/ M. V. Rautskii [и др.]. -
P
.29
Другие авторы: Tarasov A. S., Varnakov S. N., Bondarev I. A., Volochaev M. N., Lukyanenko A. V., Volkov N. V.
Moryachkov, R. Small angle X-ray scattering and atomic structure of aptamer biomolecules
/ R. Moryachkov [и др.]. -
P
.14-15
Другие авторы: Tomilin F. N., Shchugoreva I., Spiridonova V., Peters G., Zabluda V.
Tarasov, I. A. Iron silicides and pure iron epitaxial and highly-textured nanostructures on silicon: growth and their physical properties
: Invited / I. A. Tarasov [и др.]. -
P
.23
Другие авторы: Visotin M. A., Solovyov L. A., Rautskii M. V.,
Zhandun
, V. S., Nemtsev I. V., Yakovlev I. A., Varnakov S. N, Ovchinnikov, S. G.
Sokolov, A. E. Magnetic nanoparticles and DNA-aptamers conjugates for diagnostics and therapy of cancer
: Invited / A. E. Sokolov [и др.]. -
P
.13
Другие авторы: Zamay S., Zamay T., Svetlichnyi V., Velikanov D.
Sandalov, I. S. The microscopic origin of ferromagnetism in Fe silicides
: Invited / I. S. Sandalov [и др.]. -
P
.16
Другие авторы: Zamkova N. G.,
Zhandun
V. S., Ovchinnikov, S. G.
Материалы конференции
Держатели документа:
Институт физики им. Л.В. Киренского СО РАН
Доп.точки доступа:
Ovchinnikov, S. G. \предс. прогр. ком.\; Овчинников, Сергей Геннадьевич; Lukyanenko, A. V.; Varnakov, S. N.; Bondarev, I. A.; Ovchinnikov, S. G.; Tarasov, I. A.; Svetlichnyi, V.; Velikanov, D. A.; Spiridonova, V.; Peters, G.; Zabluda, V. N.; Popova, M. I.; Kholtobina, A. S.; Mikhaleva, N. S.; Visotin, M. A.; Yakovlev, I. A.; Volkov, N. V.; Rautskii, M. V.;
Zhandun
, V. S.; Nemtsev, I. V.; Varnakov, S. N; Mistonov, A.; Shabanov, A. V.; Terentiev, K. Yu.; Nesterov, A.; Ovchinnikova, T.; Smolyarova, T. E.; Volochaev, M. N.; Federal Research Center KSC SB RAS; Kirensky Institute of Physics; Siberian Federal Univercity; International Workshop on Actual Problems of Condensed Matter Physics (27 Mar. - 1 Apr. 2017 ; Krasnoyarsk / Cheremushki)
Свободных экз. нет
}
Найти похожие
15.
Iron silicide-based ferromagnetic
metal/semiconductor nanostructures / S. G. Ovchinnikov [et al.]> // Phys. Solid State. - 2016. -
Vol. 58
,
Is. 11
. - P. 2277-2281,
DOI
10.1134/S1063783416110299. - Cited References: 21. - The authors are very grateful to I.S. Sandalov for the useful discussion and the assistance in the interpretation of the obtained results. - This work was supported by the Russian Science Foundation, project no. 16-13-00060. . - ISSN 1063-7834
Аннотация:
Ferromagnetic single-crystal epitaxial Fe3Si films and polycrystalline Fe5Si3 films are obtained on Si substrates by molecular-beam epitaxy with in situ control of the structure, optical, and magnetic properties. The results of the structural, magnetic, and optical measurements are discussed. The experimental data are compared to the results of the microscopic calculation of the spin-polarized structure, the permittivity, and the optical conductivity spectra. © 2016, Pleiades Publishing, Ltd.
Смотреть статью
,
Scopus
,
WOS
,
Читать в сети ИФ
Публикация на русском языке
Наноструктуры ферромагнитный металл/полупроводник на основе силицидов железа [Текст] / С. Г. Овчинников [и др.] // Физ. тверд. тела : Физико-технический институт им. А. Ф. Иоффе РАН, 2016. - Т. 58 Вып. 11. - С. 2195–2199
Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50, Building 38, Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aero-Space University, pr. imeni Gazety “Krasnoyarskii rabochii” 31, Krasnoyarsk, Russian Federation
National Research Nuclear University MEPhI, Kashurskoe sh. 31, Moscow, Russian Federation
Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Lyashchenko, S. A.; Tarasov, I. A.; Тарасов, Иван Анатольевич; Yakovlev, I. A.; Popov, E. A.; Zharkov, S. M.; Жарков, Сергей Михайлович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Tarasov, A. S.; Тарасов, Антон Сергеевич;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Zamkova, N. G.; Замкова, Наталья Геннадьевна
}
Найти похожие
16.
Iron silicides and
pure iron epitaxial and highly-textured nanostructures on silicon: growth and their physical properties : Invited / I. A. Tarasov [et al.]> //
International workshop on actual problems of condensed matter physics : Program. Book of abstracts / Fed. Res. Center KSC SB RAS, Kirensky Inst. of phys., Sib. Fed. Univ. - Krasnoyarsk, 2017. - P. 23
Материалы совещания
Доп.точки доступа:
Ovchinnikov, S. G. \предс. прогр. ком.\; Овчинников, Сергей Геннадьевич; Tarasov, I. A.; Тарасов, Иван Анатольевич; Visotin, M. A.; Solovyov, L. A.; Соловьев, Леонид Александрович; Rautskii, M. V.; Рауцкий, Михаил Владимирович;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Nemtsev, I. V.; Немцев, Иван Васильевич; Yakovlev, I. A.; Яковлев, Иван Александрович; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Federal Research Center KSC SB RAS; Kirensky Institute of Physics; Siberian Federal Univercity; International Workshop on Actual Problems of Condensed Matter Physics(27 Mar. - 1 Apr. 2017 ; Krasnoyarsk / Cheremushki)
Нет сведений об экземплярах (Источник в БД не найден)
}
Найти похожие
17.
Kitaev, Y. E.
The nature of the intermediate phase in K3Na(SeO4)2 crystals: three possible transition paths of the trigonal-monoclinic phase transition / Y. E. Kitaev, E. M. Roginskii, V. S.
Zhandun
> // Phase Transit. - 2018. -
Vol. 91
,
Is. 11
. - P. 1135-1146,
DOI
10.1080/01411594.2018.1498497. - Cited References: 26 . - ISSN 0141-1594
Кл.слова (ненормированные):
Phase transition
--
glaserite crystals
--
ab initio
--
soft modes
Аннотация:
Three different transition paths of the phase transition from the high-symmetry trigonal P 3 m1 to the low-symmetry monoclinic phase C2/c in K3Na(SeO4)2 crystals have been analyzed using ab initio calculations based on the density functional theory (DFT) as well as programs and retrieval tools of the Bilbao Crystallographic server (BCS). We conclude that the intermediate state observed in experiments within 346–329 K temperature range consists of a mixture of two monoclinic phases C2/m and C2/c, both with the primitive cell doubled along the z-axis. Both monoclinic phases result from the softening of the double-degenerated zone-edge soft phonon A3+.
Смотреть статью
,
Scopus
,
WOS
,
Читать в сети ИФ
Держатели документа:
Ioffe Institute, St. Petersburg, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Roginskii, E. M.;
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич
}
Найти похожие
18.
Lattice distortions and/or
intercalation as ways to induce magnetism in a-FeSi2: a theoretical study / V. S.
Zhandun
[et al.]> // ArXiv. - 2018. - Ст. 1805.06189. - Cited References: 20. - This work was supported by the Russian Fund for Basic Research, Government of Krasnoyarsk Territory and Krasnoyarsk Region Science and Technology Support Fund to the research Projects No 17-42-240212 and No 18-42-243019.
Аннотация:
The possibilities to induce magnetism in the non-magnetic bulk α-FeSi2 by means of lattice distortions or intercalation with metal or non-metal ions of light elements is investigated theoretically by combined ab initio and model methods. We find that the distortions indeed can induce the formation of magnetic moment on iron atoms in certain local environments; however, the required strength of the distortions often is too large to be achieved in experiments. For this reason we suggest using "chemical pressure" that is, intercalating the α-FeSi2 films by light elements. We find that some of such variants have promising characteristic.
Смотреть статью
,
Читать в сети ИФ
Держатели документа:
Kirensky Institute of Physics, Federal Research Center "Krasnoyarsk Science Centre, Siberian Branch of the Russian Academy of Sciences”, 660036 Krasnoyarsk, Russia
Kungliga Tekniska Hogskolan, SE-100 44 Stockholm, Sweden
Доп.точки доступа:
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Korzhavyi, P.; Sandalov, I. S.; Сандалов, Игорь Семёнович
}
Найти похожие
19.
Lattice dynamics and
ferroelectric properties of SrTiO3 (100) thin film in a nonempirical model of polarizable ions / V. S.
Zhandun
, V. I. Zinenko> // Ferroelectrics. - 2011. -
Т. 414
,
№ 1
. - P. 97-104,
DOI
10.1080/00150193.2011.577314 . - ISSN 0015-0193. - ISSN 1563-5112
РИНЦ
Держатели документа:
L.V. Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
Доп.точки доступа:
Zhandun
, V. S.; Жандун, Вячеслав Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович
}
Найти похожие
20.
Lattice Dynamics and
Spontaneous Polarization Calculation of Disorder Solid Solution Thin Ferroelectric Film [Text] /
Zhandun
V.S., Zinenko V.I.> // Vol. 400 : Ferroelectrics. - P45–53
Доп.точки доступа:
Zhandun
, V. S.; Жандун Вячеслав Сергеевич; Zinenko, V. I.; Зиненко Виктор Иванович
}
Найти похожие
полный формат
краткий формат
все найденные
отмеченные
кроме отмеченных
Стандартный
Расширенный
Профессиональный
Распределенный
По словарю
ГРНТИ-навигатор
УДК-навигатор
Тематический навигатор
Другие библиотеки
Центральная Научная Библиотека КНЦ СО РАН
Библиотека института биофизики
Библиотека института химии и химический технологии
Библиотека института вычислительного моделирования
Библиотека института леса
Библиотека СФУ
Краевая научная библиотека
© Международная Ассоциация пользователей и разработчиков электронных библиотек и новых информационных технологий
(Ассоциация ЭБНИТ)