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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Draganyuk O. N., Zhandun V. S., Zamkova N. G.
Заглавие : Half-metallicity in Fe2MnSi and Mn2FeSi heusler compounds: A comparative ab initio study
Место публикации : Mater. Chem. Phys. - 2021. - Vol. 271. - Ст.124897. - ISSN 02540584 (ISSN), DOI 10.1016/j.matchemphys.2021.124897
Примечания : 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)
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.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Tarasov I. A., Yakovlev I. A., Kosyrev N. N., Smolyarova T. E., Nemtsev I. V., Solovyov I.
Заглавие : Epitaxial stabilization of Fe3Si(111)-orientated thin films on Si(110) via self-organized growth of α-FeSi2 nano-stripes: structural analysis and magnetic properties
Коллективы : International Baltic Conference on Magnetism: focus on nanobiomedicine and smart materials, Балтийский федеральный университет им. И. Канта
Место публикации : 4th International Baltic Conference on Magnetism (IBCM 2021): Book of abstracts. - 2021. - P.87
Примечания : Cited References: 1. - The reported study was funded by the Russian Science Foundation, project no. 20-72-00100
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Драганюк, Оксана Николаевна, Жандун, Вячеслав Сергеевич
Заглавие : Теоретическое исследование магнитных и электронных свойств Гейслеровский сплавов Mn2FeSi и Fe2MnSi
Коллективы : Федеральный исследовательский центр "Красноярский научный центр Сибирского отделения Российской академии наук", Междисциплинарная конференция молодых ученых ФИЦ КНЦ СО РАН (23; 2020 ; июнь ; 17; Красноярск)
Место публикации : Междисциплинарная конференция молодых ученых ФИЦ КНЦ СО РАН (КМУ-XXIII): тезисы докладов. - Красноярск: ИФ СО РАН, 2020. - Секция "Физика". - С. 11. - ISBN 978-5-6042995-9-3 (Шифр Б/М 43-875710561)
Примечания : Исследование выполнено при финансовой поддержке Российского фонда фундаментальных исследований, Правительства Красноярского края, Красноярского краевого фонда науки в рамках научного проекта No 19-42-240016: «Управление структурными, магнитными, электронными и оптическими свойствами при помощи давления и интеркалирования в функциональных соединениях со структурой шпинели, содержащих 3d ионы»
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov I. A., Smolyarova T. E., Nemtsev I. V., Yakovlev I. A., Volochaev M. N., Solovyov L. A., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Tailoring the preferable orientation relationship and shape of α-FeSi2nanocrystals on Si(001): The impact of gold and the Si/Fe flux ratio, and the origin of α/Si boundaries
Место публикации : CrystEngComm. - 2020. - Vol. 22, Is. 23. - P.3943-3955. - ISSN 14668033 (ISSN), DOI 10.1039/d0ce00399a
Примечания : Cited References: 52. - The experimental part of the reported study was funded by the Russian Science Foundation, project no. 16-13-00060-Π. Theoretical analysis of the ORs of the α-FeSi2 nanocrystals grown was supported by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science via research project No. 18-42-243013. We also acknowledge the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” for support with carrying out the microscopic investigations. I. A. Tarasov personally thanks M. A. Visotin for continuous fruitful discussion about the energetics of the formation of the α-FeSi2 nanocrystals
Аннотация: The growth of α-FeSi2 nanocrystal ensembles on gold-activated and gold-free Si(001) surfaces at different Si/Fe flux ratios via molecular beam epitaxy is reported. The study reveals that the utilisation of gold as a catalyst regulates the preferable orientation relationship (OR) of the nanocrystals to silicon and their morphology at a given Si/Fe flux ratio. α-FeSi2 free-standing crystals with continuously tuned sizes from 30 nm up to several micrometres can be grown with an α(001)//Si(001) basic OR under gold-assisted conditions and an α(111)//Si(001) OR under gold-free growth conditions on a Si(001) surface. The preferred morphology of nanocrystals with a particular OR can be altered through changes to the Si/Fe flux ratio. Herein, the microstructure and basic OR between the silicide nanocrystals and the silicon substrate, and the formation of nanocrystal facets were analysed in detail with the help of microscopic techniques and simulation methods based on the analysis of near coincidence site (NCS) distributions at silicide/silicon interfaces. On the basis of the simulations used, we managed to reveal the nature of the interfaces observed for the main types of α-FeSi2 nanocrystals grown. Three types of interfaces typical for nanoplates with an α(001)//Si(001) basic OR, which are (i) stepped, (ii) stressed, and (iii) flat, are explained based on the tendency for the NCS density to increase at the interface. The results presented reveal the potential for the bottom-up fabrication of α-FeSi2 nanocrystals with tuned physical properties as potentially important contact materials and as building blocks for future nanoelectronic devices.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Visotin M. A., Tarasov I. A., Fedorov A. S., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Prediction of orientation relationships and interface structures between α-, β-, γ-FeSi2 and Si phases
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [16-13-00060-Pi]
Место публикации : Acta Crystallogr. B. - 2020. - Vol. 76. - P.469-482. - ISSN 2052-5206(eISSN), DOI 10.1107/S2052520620005727
Примечания : Cited References: 85. - The following funding is acknowledged: Russian Science Foundation (grant No. 16-13-00060-Pi).
Предметные рубрики: THERMAL-EXPANSION
BETA-FESI2 FILMS
GROWTH
SILICON
DIFFRACTION
Аннотация: A pure crystallogeometrical approach is proposed for predicting orientation relationships, habit planes and atomic structures of the interfaces between phases, which is applicable to systems of low-symmetry phases and epitaxial thin film growth. The suggested models are verified with the example of epitaxial growth of α-, γ- and β-FeSi2 silicide thin films on silicon substrates. The density of near-coincidence sites is shown to have a decisive role in the determination of epitaxial thin film orientation and explains the superior quality of β-FeSi2 thin grown on Si(111) over Si(001) substrates despite larger lattice misfits. Ideal conjunctions for interfaces between the silicide phases are predicted and this allows for utilization of a thin buffer α-FeSi2 layer for oriented growth of β-FeSi2 nanostructures on Si(001). The thermal expansion coefficients are obtained within quasi-harmonic approximation from the DFT calculations to study the influence of temperature on the lattice strains in the derived interfaces. Faster decrease of misfits at the α-FeSi2(001)||Si(001) interface compared to γ-FeSi2(001)||Si(001) elucidates the origins of temperature-driven change of the phase growing on silicon substrates. The proposed approach guides from bulk phase unit cells to the construction of the interface atomic structures and appears to be a powerful tool for the prediction of interfaces between arbitrary phases for subsequent theoretical investigation and epitaxial film synthesis.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov I. A., Bondarev I. A., Romanenko A. I.
Заглавие : α-FeSi2 as a buffer layer for β-FeSi2 growth: analysis of orientation relationships in silicide/Silicon, silicide/silicide heterointerfaces
Коллективы : Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science [18-42-243013]; Ministry of Education and Science of the Russian FederationMinistry of Education and Science, Russian Federation; Siberian Branch of the Russian Academy of SciencesRussian Academy of Sciences [II.8.70]
Место публикации : J. Surf. Ingestig. - 2020. - Vol. 14, Is. 4. - P.851-861. - ISSN 1027-4510, DOI 10.1134/S1027451020040357. - ISSN 1819-7094(eISSN)
Примечания : Cited References: 74. - The work was supported by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project no. 18-42-243013. The work was partially supported by the Ministry of Education and Science of the Russian Federation and by Siberian Branch of the Russian Academy of Sciences (Project II.8.70)
Предметные рубрики: β-FeSi2 thin-films
Thermal-expansion
Phase-transformation
Аннотация: In this manuscript, we attempt to clarify the capability of utilisation of α-FeSi2 nanocrystals as a buffer layer for growth of monocrystalline/high-quality β-FeSi2 direct-gap semiconductor from the point of view of the crystal lattice misfits and near coincidence site (NCS) lattices. Iron silicides-based nanostructures have a wide spectrum of possible industrial applications in different fields. Mainly, interest in these functional materials is caused by their ecological safety and Earth’s core abundance that give us the opportunity for greener future with highly effective electronic devices. β-FeSi2 phase due to its allowed direct transition with energy close to 0.87 eV can be used as active material in light emission diodes (LED). Utilisation of buffer layers between silicon substrate and give one more tool to engineer the band structure of semiconducting β‑FeSi2 phase. We attempt to clarify the capability of the utilisation of the α-FeSi2 phase as a buffer layer for the growth of β-FeSi2 direct-gap semiconductor from the point of view of the crystal lattice misfits and near coincidence site (NCS) lattices. Possible β-FeSi2/α-,γ-,s-FeSi2/Si orientation relationships (ORs) and habit planes were examined with crystallogeometrical approaches and compared with β-FeSi2/Si ones. The lowest interplanar and interatomic spacing misfits between silicon lattice and a silicide one are observed for the pair of s-FeSi2{011}[200]/Si{022}[100] at room temperature and equal to –0.57%. The least interplanar and interatomic spacing misfit of 1.7 and 1.88%, respectively, for β-FeSi2/Si, can be decreased as low as –0.67 (interplanar) and 0.87 (interatomic) % by placing an α-FeSi2 layer between silicon and β-FeSi2 phase. It is stated that the growth of metastable γ-FeSi2 is also favourable on silicon due to low interplanar and interatomic spacing misfit (–0.77%) and a higher density of NCS in comparison with s-FeSi2. Design and technological procedure for the synthesis of possible β-FeSi2/α-FeSi2/Si heterostructure have been proposed based on the results obtained.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Tarasov I. A., Visotin M. A., Varnakov S. N., Ovchinnikov S. G., Farle M.
Заглавие : Growth of α-FeSi2 nanocrystals on silicon surface: the impact of gold and the Si/Fe flux ratio, the origin and the prediction of α/Si orientation relationships and interface structures
Коллективы : International workshop on functional MAX-materials, Kirensky Institute of Physics
Место публикации : International workshop on functional MAX-materials (1st FunMax). - 2020. - P.11
Примечания : Cited references: 2. - The study was carried out with the financial support of the Government of the Russian Federation within the framework of a grant for the creation of world-class laboratories (Agreement No. 075-15-2019-1886)
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Visotin M. A., Tarasov I. A.
Заглавие : Approach for prediction of orientation relationships and interface structures and its application to α-, β-, γ-FeSi2 and Si
Коллективы : Nanostructures: Physics and Technology, International Symposium, Институт физики им. Б. И. Степанова НАН Беларуси, Санкт-Петербургский национальный исследовательский Академический университет Российской академии наук, Физико-технический институт им. А.Ф. Иоффе РАН, Научно-технологический центр микроэлектроники и субмикронных гетероструктур Российской академии наук
Место публикации : Nanostructures: Physics and Technology, International Symposium (28 ; 2020 ; 28 Sept.-2 Oct. ; Minsk, Belarus). Nanostructures: physics and technology: proc. 28th Int. symp. - 2020. - Ст.NC.13. - P.152-153. - ISBN 978-5-93634-066-6
Примечания : Cited References: 13
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov A. S., Visotin M. A., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Growth of α-FeSi2 nanocrystals on silicon surface: the impact of gold and the Si/Fe flux ratio, the origin and the prediction of α/Si orientation relationships and interface structures
Коллективы : International Online Workshop on the properties of Functional MAX-materials, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : 1st FunMAX Workshop 2020: Book of Abstracts/ , Ин-т физики им. Л.В. Киренского. - 2020. - P11
Примечания : Cited References: 2. - The study was carried out with the financial support of the Government of the Russian Federation within the framework of a grant for the creation of world-class laboratories (Agreement No. 075-15-2019-1886).
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10.

Вид документа : Статья из сборника (выпуск монографической серии)
Шифр издания :
Автор(ы) : Igumenov, A. Yu, Parshin A. S., Kanzychakova V. O., Demin A. M., Andryushchenko T. A., Mikhlin, Yu L., Pehelyakov O. P., Zhigalov V. S.
Заглавие : Factor analysis of inelastic electron scattering cross section spectra of FeSi2
Коллективы : International Scientific Conference Reshetnev Readings
Место публикации : IOP Conf. Ser.: Mater. Sci. Eng. - 2019. - Vol. 467: 21st International Scientific Conference Reshetnev Readings-2017. - Ст.012010. - , DOI 10.1088/1757-899X/467/1/012010
Примечания : Cited References: 21
Предметные рубрики: ENERGY-LOSS SPECTROSCOPY
IRON
Аннотация: Iron disilicide is widely used in creation of such nanotechnology devices as photoelectric converters. The investigation of iron silicide FeSi2 with the method of inelastic electron scattering cross-section spectroscopy was carried out. The decomposition of inelastic electron scattering cross-section spectra of FeSi2 to bulk and surface energy loss components using factor analysis was carried out. The amplitude of energy loss components can be used for identification of their origin.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Zamkova N. G., Korzhavyi, Pavel, Sandalov I. S.
Заглавие : Inducing magnetism in non-magnetic α-FeSi2 by distortions and/or intercalations
Коллективы : Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science [17-42-240212, 18-42-243019]
Место публикации : Phys. Chem. Chem. Phys. - 2019. - Vol. 21, Is. 25. - P.13835-13846. - ISSN 1463-9076, DOI 10.1039/c9cp02361e. - ISSN 1463-9084(eISSN)
Примечания : 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".
Предметные 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.
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12.

Вид документа : Однотомное издание
Шифр издания : Описание изобретения к патенту 2681635!-411558231
Автор(ы) : Тарасов, Иван Анатольевич, Яковлев, Иван Александрович, Высотин, Максим Александрович, Смолярова, Татьяна Евгеньевна, Варнаков, Сергей Николаевич, Овчинников, Сергей Геннадьевич
Заглавие : Способ получения нанокристаллов силицида железа α-FeSi 2 с изменяемой преимущественной ориентацией .-
Коллективы : Федеральный исследовательский центр "Красноярский научный центр Сибирского отделения Российской академии наук", Федеральная служба по интеллектуальной собственности (Роспатент), Федеральный институт промышленной собственности
Место публикации : Изобретения. Полезные модели: офиц. бюл. Фед. службы по интеллектуал. собственности (Роспатент). - 2019. - № 8
Аннотация: Изобретение относится к технологии получения материалов нанометрового размера, состоящих из нанокристаллов силицида железа α-FeSi2 с контролируемо изменяемой преимущественной кристаллографической ориентацией, формой и габитусом, и может применяться для разработки новых функциональных элементов в спинтронике и нанотехнологии. Способ получения нанокристаллов силицида железа α-FeSi2 с изменяемой преимущественной ориентацией включает предварительную химическую подготовку поверхности подложки кремния в водном растворе плавиковой кислоты и ее очистку путем отжига при 840-900°С, осаждение слоя золота на подложку кремния ориентацией Si(001) при комнатной температуре методом термического испарения в сверхвысоком вакууме, повышение температуры подложки до 840°С и соосаждение железа и кремния при атомном соотношении от 1:2 до 3:1. Техническим результатом изобретения является контролируемое получение нанокристаллов α-FeSi2 на поверхности кремния с различными преимущественными кристаллографическими ориентационными соотношениями, изменяемой огранкой и формой нанокристалла α-FeSi2 для одного и того же ориентационного соотношения. 3 ил., 1 табл., 4 пр.
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13.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Rautskii M. V., Tarasov I. A., Yakovlev I. A.
Заглавие : Magnetic properties of α-FeSi2 iron silicide nanocrystal with different preferred orientation
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. 1. - Ст.C.P39. - P.334. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 1. - This study was supported by the Russian Foundation for Basic Research, project no.18-32-00035
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov I. A., Rautskii M. V., Yakovlev I. A., Volochaev M. N.
Заглавие : Effect of epitaxial alignment on electron transport from quasi-two-dimensional iron silicide α-FeSi2 nanocrystals into p-Si(001)
Коллективы : International Symposium on Nanostructures - Physics and Technology , Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243060, 16-42-243035]; Russian Foundation for Basic Research, Government of the Republic of Khakassia [17-42-190308]
Место публикации : Физ. и техника полупроводников. - 2018. - Т. 52: 25th International Symposium on Nanostructures - Physics and Technology (Jun 26-30, 2017, Saint Petersburg, Russia), Вып. 5. - с.523. - ISSN 0015-3222, DOI 10.21883/FTP.2018.05.45867.56
Примечания : The work was supported by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research projects no. 16-42-243060 and 16-42-243035 and Russian Foundation for Basic Research, Government of the Republic of Khakassia, research project no. 17-42-190308. We also thank L.A. Solovyov for his assistance in XRD analysis.
Аннотация: Self-assembled growth of α-FeSi2 nanocrystal ensembles on gold-activated and gold-free Si(001) surface by molecular beam epitaxy is reported. The microstructure and basic orientation relationship (OR) between the silicide nanocrystals and silicon substrate were analysed. The study reveals that utilisation of the gold as catalyst regulates the preferable OR of the nanocrystals with silicon and their habitus. It is shown that electron transport from α-FeSi2 phase into p-Si(001) can be tuned by the formation of (001)-or (111)-textured α-FeSi2 nanocrystals ensembles. A current-voltage characteristic of the structures with different preferable epitaxial alignment (α-FeSi2(001)/Si(100) and α-FeSi2(111)/Si(100)) shows good linearity at room temperature. However, it becomes non-linear at different temperatures for different ORs due to different Schottky barrier height governed by a particular epitaxial alignment of the α-FeSi2/p-Si interfaces.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov I. A., Rautskii M. V., Yakovlev I. A., Volochaev M. N.
Заглавие : Effect of epitaxial alignment on electron transport from quasi-two-dimensional iron silicide α-FeSi2 nanocrystals into p-Si(001)
Коллективы : International Symposium on Nanostructures - Physics and Technology , Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243060, 16-42-243035]; Russian Foundation for Basic Research, Government of the Republic of Khakassia [17-42-190308]
Место публикации : Semiconductors. - 2018. - Vol. 52: 25th International Symposium on Nanostructures - Physics and Technology (Jun 26-30, 2017, Saint Petersburg, Russia), Is. 5. - P.654-659. - ISSN 1063-7826, DOI 10.1134/S1063782618050330. - ISSN 1090-6479(eISSN)
Примечания : Cited References:31. - The work was supported by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research projects no. 16-42-243060 and 16-42-243035 and Russian Foundation for Basic Research, Government of the Republic of Khakassia, research project no. 17-42-190308. We also thank L.A. Solovyov for his assistance in XRD analysis.
Предметные рубрики: BETA-FESI2 THIN-FILMS
LOW-TEMPERATURE
GROWTH
FESI2
SI(100)
SI(111)
Аннотация: Self-assembled growth of α-FeSi2 nanocrystal ensembles on gold-activated and gold-free Si(001) surface by molecular beam epitaxy is reported. The microstructure and basic orientation relationship (OR) between the silicide nanocrystals and silicon substrate were analysed. The study reveals that utilisation of the gold as catalyst regulates the preferable OR of the nanocrystals with silicon and their habitus. It is shown that electron transport from α-FeSi2 phase into p-Si(001) can be tuned by the formation of (001)-or (111)-textured α-FeSi2 nanocrystals ensembles. A current-voltage characteristic of the structures with different preferable epitaxial alignment (α-FeSi2(001)/Si(100) and α-FeSi2(111)/Si(100)) shows good linearity at room temperature. However, it becomes non-linear at different temperatures for different ORs due to different Schottky barrier height governed by a particular epitaxial alignment of the α-FeSi2/p-Si interfaces.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Zamkova N. G., Korzhavyi P., Sandalov I. S.
Заглавие : Lattice distortions and/or intercalation as ways to induce magnetism in a-FeSi2: a theoretical study
Место публикации : ArXiv. - 2018. - Ст.1805.06189
Примечания : 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.
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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Tarasov A. S., Visotin M. A., Volochaev M. N., Solovyov L. A., Aleksandrovsky A. S., Rautskii M. V., Zhandun V. S., Yakovlev I. A., Nemtsev I. V., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Tuning the magnetic, transport and optical properties of FeSi2 nanocrystals
Коллективы : Asian School-Conference on Physics and Technology of Nanostructured Materials, Азиатская школа-конференция по физике и технологии наноструктурированных материалов, Институт автоматики и процессов управления ДВО РАН, Дальневосточный федеральный университет
Место публикации : Fourth Asian school-conference on physics and technology of nanostructured materials (ASCO-NANOMAT 2018): proceedings. - Vladivostok: Dalnauka, 2018. - P.143
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18.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Rautskii M. V., Tarasov I. A., Yakovlev I. A., Shanidze L. V., Volochaev M. N.
Заглавие : Synthesis and transport properties of hybrid structures with quasi-two-dimensional α-FeSi2 nanocrystals
Коллективы : Байкальская международная конференция "Магнитные материалы. Новые технологии", "Магнитные материалы. Новые технологии", Байкальская международная конференция, "Magnetic materials. New tecnologies", Baikal International Conference, Иркутский государственный университет
Место публикации : Магнитные материалы. Новые технологии: тез. докл. VIII Байкал. междунар. конф. BICMM-2018/ чл. прогр. ком. R. S. Iskhakov [et al.]. - Иркутск, 2018. - P.130. - ISBN 978-5-00133-051-6
Примечания : Библиогр.: 3
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov I. A., Visotin M. A., Aleksandrovsky A. S., Kosyrev N. N., Yakovlev I. A., Molokeev M. S., Lukyanenko A. V., Krylov A. S., Fedorov A. S., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Si/Fe flux ratio influence on growth and physical properties of polycrystalline β-FeSi2 thin films on Si(100) surface
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН , Russian Science Foundation [16-13-00060]
Место публикации : J. Magn. Magn. Mater.: Elsevier Science, 2017. - Vol. 440. - P.144-152. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2016.12.084. - ISSN 1873-4766(eISSN)
Примечания : Cited References:39. - This work was supported by the Russian Science Foundation, project no. 16-13-00060
Предметные рубрики: SEMICONDUCTING FESI2 FILMS
SPECTROSCOPIC ELLIPSOMETRY
EPITAXIAL-FILMS
Ключевые слова (''Своб.индексиров.''): β-fesi2 iron disilicide--optical properties--reflection high-energy--electron diffraction--raman spectroscopy--ab initio calculation
Аннотация: This work investigates the Si/Fe flux ratio (2 and 0.34) influence on the growth of β-FeSi2 polycrystalline thin films on Si(100) substrate at 630 °C. Lattice deformations for the films obtained are confirmed by X-ray diffraction analysis (XRD). The volume unit cell deviation from that of β-FeSi2 single crystal are 1.99% and 1.1% for Si/Fe =2 and Si/Fe =0.34, respectively. Absorption measurements show that the indirect transition (~ 0.704 eV) of the Si/Fe =0.34 sample changes to the direct transition with a bandgap value of ~0.816 eV for the sample prepared at Si/Fe =2. The absorption spectrum of the Si/Fe =0.34 sample exhibits an additional peak located below the bandgap energy value with the absorption maximum of ~0.36 eV. Surface magneto-optic Kerr effect (SMOKE) measurements detect the ferromagnetic behavior of the β-FeSi2 polycrystalline films grown at Si/Fe =0.34 at T=10 K, but no ferromagnetism was observed in the samples grown at Si/Fe =2. Theoretical calculations refute that the cell deformation can cause the emergence of magnetization and argue that the origin of the ferromagnetism, as well as the lower absorption peak, is β-FeSi2 stoichiometry deviations. Raman spectroscopy measurements evidence that the film obtained at Si/Fe flux ratio equal to 0.34 has the better crystallinity than the Si/Fe =2 sample.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Zamkova N. G., Ovchinnikov S. G., Sandalov I. S.
Заглавие : Self-consistent mapping: Effect of local environment on formation of magnetic moment in α-FeSi2
Место публикации : Phys. Rev. B: American Physical Society, 2017. - Vol. 95, Is. 5. - Ст.054429. - ISSN 10980121 (ISSN), DOI 10.1103/PhysRevB.95.054429
Примечания : Cited References: 47. - 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 Project No. 16-42-242036, No. 16-42-243035, and No. 17-42-240212, and by President of Russia programm for support of the leading scientific schools, Grant NSh-7559.2016.2. The authors would like to thank A. S. Shinkorenko for the technical support.
Аннотация: The Hohenberg-Kohn theorem establishes a basis for mapping the exact energy functional to a model one provided that their charge densities coincide. We suggest to use a mapping in a similar spirit, but here the parameters of the formulated multiorbital model should minimize the difference between the self-consistent charge and spin densities. The analysis of the model allows for detailed understanding of the role played by different parameters of the model in the physics of interest. After finding the areas of interest in the phase diagram of the model, we return to the ab initio calculations and check if the effects discovered are confirmed or not. Because of the last controlling step, we call this approach hybrid self-consistent mapping approach (HSCMA). As an example of the approach we present a study of the effect of silicon atoms substitution by the iron atoms and vice versa on the magnetic properties in the iron silicide α−FeSi2. We find that while the stoichiometric α−FeSi2 is nonmagnetic, the substitutions generate different magnetic structures depending on the type of local environment of the substitutional Fe atoms. Besides, contrary to the commonly accepted statement that the destruction of the magnetic moment is controlled only by the number of Fe-Si nearest neighbors, we find that actually it is controlled by the Fe-Fe next-nearest-neighbor hopping parameter. This finding led us to the counterintuitive conclusion: an increase of Si concentration in Fe1−xSi2+x ordered alloys may lead to ferromagnetism. The calculation within GGA-to-DFT confirms this conclusion.
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