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New symmetric families of silicon quantum dots and their conglomerates as a tunable source of photoluminescence in nanodevices / Avramov P.V., Fedorov D.G., Sorokin P.B., Chernozatonskii L.A., Gordon M.S. // arXiv. - 2008. - Ст. 0709.2279v1

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Доп.точки доступа:
Avramov, P.V.; Fedorov, D.G.; Sorokin, P. B.; Chernozatonskii, L.A.; Gordon, M.S.
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    Strong Electron Correlations Determine Energetic Stability and Electronic Properties of Er-Doped Goldberg-Type Silicon Quantum Dots / P. V. Avramov [et al.] // J. Phys. Chem. C. - 2009. - Vol. 113, Is. 36. - P. 15964-15968, DOI 10.1021/jp904996e. - Cited Reference Count: 43. - Гранты: This work was supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Tcchnology Agency (JST) and a collaborative RFBR-JSPS Grant 0902-92107-Phi. One of the authors (S.I.) also acknowledges support by the Program for Improvement of Research Environment for Young Researchers from Special Coordination Funds for Promoting Science and Technology (SCF) commissioned by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan. - Финансирующая организация: Japan Science and Tcchnology Agency (JST); RFBR-JSPS Grant; Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan . - SEP 10. - ISSN 1932-7447
Рубрики:
IMPLANTED POROUS SILICON
   AUGMENTED-WAVE METHOD
   MU M LUMINESCENCE
   SI NANOCRYSTALS
   THIN-FILMS
   BASIS-SET
   ERBIUM
   PHOTOLUMINESCENCE
   DENSITY
   PSEUDOPOTENTIALS
Кл.слова (ненормированные):
Ab initio -- Atomic structure -- Density functionals -- Empirical pseudo-potential -- Endohedrals -- Energetic stability -- Er-doped -- Erbium complexes -- Erbium ion -- Experimental data -- Hartree-fock -- Many body perturbation theory -- Mass centers -- Perturbation approach -- Plane wave -- Pseudopotentials -- Quantum Dot -- Silicon quantum dots -- Strong binding -- Strong electron correlations -- Theoretical result -- Crystal atomic structure -- Electron correlations -- Electron density measurement -- Electronic properties -- Electronic structure -- Erbium -- Perturbation techniques -- Structural optimization -- Semiconductor quantum dots
Аннотация: Atomic and electronic structures of Goldberg-type silicon quantum dots and their endohedral erbium complexes were studied using ab initio and plane wave pseudopotential density functional and Moller-Plesset many-body perturbation theories. During atomic structure optimizations, the erbium ions occupy mass centers inside the central hollows of quantum dots of different symmetries. It was found that strong electron correlations within the Er 4f shell taken into account by empirical pseudopotential and post-Hartree-Fock perturbation approaches are responsible for strong binding of Er ions to quantum dots. We elucidate the effects of symmetry and discuss theoretical results in comparison to available experimental data,

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Держатели документа:
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Natl Inst Adv Ind Sci & Technol, RICS, Tsukuba, Ibaraki 3058568, Japan
Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan
Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan
Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068103, Japan

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, D. G.; Irle, S.; Morokuma, K.
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    Synthesis, structural and photoluminescence properties of Ca2Al3O6F:Eu2+ phosphor / Zhiguo Xia [et al.] // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 109
   Перевод заглавия: Синтез, структурные и люминесцентные свойства Ca2Al3O6F:Eu2+ люминофора
Кл.слова (ненормированные):
Ca2Al3O6 -- Structure -- Spectroscopic properties
Аннотация: The Ca2A13O6F oxyfluoride was recently proposed as an efficient host for the luminescence materials; however the crystal structure remains to be unknown. We present a combined structural analysis on the powder sample of Ca2Al3O6F using X-ray diffraction (XRD), Raman and Infrared spectroscopy technique. XRD studies showed that the structure of crystallized in the rhombohedral system, R3 space group. The crystal structure consists of almost ideal AlO4 tetrahedrons, linked through corners, Ca ions in voids, and F disordered to 18 sites around Ca2 ion. Calculated Raman and infrared phonon modes agree qualitatively well with the experimental data. Lattice dynamics simulation based on the simplified version of the Born-Karman potential model. Calculations shows that line at 539 cm[[p]]-1[[/p]](A[[d]]g[[/d]]) corresponds to vibrational mode of six-niembered AlO4 tetrabedwns ring, and line at 573 cm[[p]]-1[[/p]](A[[d]]g[[/d]]) corresponds to the full symmetric vibration of fluorine atoms on ab crystal plane.

Доп.точки доступа:
Zhiguo Xia; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A.S.; Орешонков, Александр Сергеевич; Atuchin, V.V.; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
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    Synthesis, structural and photoluminescence properties of Ca2Al3O6F:Eu2+ phosphor / Zhiguo Xia [и др.] // The 7th Russian-French workshop on Nanosciences and Nanotechnologies : Program and abstract book. - Novosibirsk, 2013. - P. 65 . - ISBN 978-5-901688-29-8
   Перевод заглавия: Синтез, структурные и фотолюминесцентные свойства люминофора Ca2Al3O6F:Eu2+

Материалы конференции

Доп.точки доступа:
Zhiguo Xia; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Atuchin, V. V.; Russian-French workshop on Nanosciences and Nanotechnologies(7 ; 2013 ; Jun. ; 3-6 ; Новосибирск); Российская академия наук; Сибирское отделение РАН; Институт неорганической химии им. А.В. Николаева Сибирского отделения РАН; Институт катализа им. Г.К. Борескова Сибирского отделения РАН; Институт физики полупроводников им. А.В. Ржанова Сибирского отделения РАН
}
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    Zhiguo, Xia.
    Crystal structure and photoluminescence properties of europium doped Ca7La3(PO4)3(SiO4)3F2 / X Zhiguo, M. S. Molokeev, V. V. Atuchin // XVI Международная конференция "Опто-, наноэлектроника, нанотехнологии и микросистемы" : Труды. - Ульяновск, 2013. - P. 156
   Перевод заглавия: Кристаллическая структура и фотолюминесцентные свойства Ca7La3(PO4)3(SiO4)3F2 допированного Eu

Материалы конференции

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Atuchin, V. V.; Институт нанотехнологий микроэлектроники РАН; Ульяновский государственный университет; Российский фонд фундаментальных исследованийАкадемия наук Татарстана; "Opto-, nanoelectronics, nanotechnology, and microsystems", International Conference (2013 ; Jul. ; 26-30 ; Ulyanovsk, Russia); "Опто-, наноэлектроника, нанотехнологии и микросистемы", международная конференция (2013 ; июль.; 26-30 ; Ульяновск)
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    Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors / Zhiguo Xia [и др.] // Scientific Rep. - 2013. - Vol. 3. - Ст. 3310. - P. 1-7, DOI 10.1038/srep03310. - This research was supported by the National Natural Science Foundations of China (Grant No.51002146, No. 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University ofMinistry of Education of China (NCET-12-0950), Fundamental Research Funds for the Central Universities (2011YYL131), and this study was also partially supported by SB RAS, Grant 28.12. Zhiguo Xia was supported by Beijing Nova Program (Z131103000413047) . - ISSN 2045-2322
   Перевод заглавия: Линейная структурная эволюция индуцированной перестраиваемой фотолюминесценции в твердых растворах клинопироксеновых люминофоров
Аннотация: Clinopyroxenes along the Jervisite (NaScSi2O6) – Diopside (CaMgSi2O6) join have been studied, and a solid-solution of the type (N[[d]]1-x[[/d]]Ca[[d]]x[[/d]])(Sc[[d]]1-x[[/d]]Mg[[d]]x[[/d]])Si2O6 has been identified in the full range of 0 ≤ x ≤ 1. The powder X-ray patterns of all the phases indicate a structural similarity to the end compounds and show smooth variation of structural parameters with composition. The linear structural evolution of iso-structural (Na[[d]]1-x[[/d]]Ca[[d]]x[[/d]])(Sc[[d]]1-x[[/d]]Mg[[d]]x[[/d]])Si2O6 solid-solutions obeying Vegard’s rule has also been examined and verified by high resolution transmission electron microscopy (HRTEM). The continuous solid-solutions show the same structural type, therefore the photoluminescence spectra of Eu[[p]]2+[[/p]] doped samples possess the superposition of spectral features from blue-emitting component (CaMgSi2O6:Eu[[p]]2+[[/p]]) and yellow-emitting one (NaScSi2O6:Eu[[p]]2+[[/p]]). This indicates that the spectroscopic properties of (Na[[d]]1-x[[/d]]Ca[[d]]x[[/d]])(Sc[[d]]1-x[[/d]]Mg[[d]]x[[/d]])Si2O6 clinopyroxene solid-solutions are in direct relations with structural parameters, and it is helpful for designing color-tunable photoluminescence with predetermined parameters.

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Держатели документа:
China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
SB RAS, Lab Crystal Phys, Inst Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia

Доп.точки доступа:
Xia, Zhiguo; Zhang, Yuanyuan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Atuchin, V. V.; Luo, Yi
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    Synthesis and luminescence properties of blue-emitting phosphor Li3c2(PO4)3:Er2+ / S. X. Yu [et al.] // ECS J. Solid State Sci. Technol. - 2014. - Vol. 3, Is. 8. - P. R159-R163, DOI 10.1149/2.0071408jss. - Cited References: 33. - The present work was supported by the National Natural Science Foundations of China (Grant No. 51002146, No. 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in the University of the Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), Beijing Youth Excellent Talent Program (YETP0635) and the Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306). Z. G. Xia is also grateful for the financial support from University of Science and Technology Beijing. V.V.A. gratefully acknowledge the Ministry of Education and Science of the Russian Federation for the financial support. . - ISSN 2162-8769. - ISSN 2162-8777
   Перевод заглавия: Синтез и люминесцентные свойства синего люминофора Li3Sc2(PO4)3:Eu2+

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
ENERGY-TRANSFER
   PHOTOLUMINESCENCE PROPERTIES
   INORGANIC-COMPOUNDS
   EMISSION COLOR
   FULL-COLOR
   DIODES
   Eu2+
   IONS
   LEDS
   Tb
Аннотация: A new blue-emitting phosphor Li3Sc2(PO4)3:Eu2+ was synthesized by a high temperature solid-state reaction method, and the crystal structure and photoluminescence properties were investigated in detail. The preferred crystallographic position of the Eu2+ ions in the Li3Sc2(PO4)3 host were determined from the structural analysis and spectroscopic properties. The as-prepared phosphor gave an intense blue emission band centered at 439 nm with the CIE coordinate of (0.1540, 0.0317) upon the excitation of the near ultraviolet light. The critical quenching concentration of Eu2+ in Li3Sc2(PO4)3:Eu2+ was about 15 mol%, and the corresponding concentration quenching mechanism was verified to be the dipole-quadrupole interaction. The fluorescence lifetime of Eu2+ emission and the thermal stable luminescence property have been investigated. Li3Sc2(PO4)3:Eu2+ was found to be a promising candidate as a blue-emitting n-UV convertible phosphor for the application in white light emitting diodes (w-LEDs).

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Держатели документа:
China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielectr Mat, Novosibirsk 630090, Russia

Доп.точки доступа:
Yu, Shixin; Xia, Zhiguo; Molokeev, M. S.; Молокеев, Максим Сергеевич; Miao, Hao; Atuchin, V. V.
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    Cation substitution dependent bimodal photoluminescence in whitlockite structural Ca3-xSrx(PO4)2:Eu2+ (0 ≤ x ≤ 2) solid solution phosphors / H. P. Ji [et al.] // Inorg. Chem. - 2014. - Vol. 53, Is. 20. - P. 11119-11124, DOI 10.1021/ic501679f. - Cited References: 37. - This work was supported by the National Natural Science Foundations of China (Grant Nos. 51032007, 51002146, 51272242), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20130022110006), the Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), and Beijing Youth Excellent Talent Program (YETP0635). V.V.A. acknowledges the Ministry of Education and Science of the Russian Federation for financial support. . - ISSN 0020-1669. - ISSN 1520-510X
   Перевод заглавия: Катион зависимая бимодальная люминесценция в твердом растворе Ca3-xSrx(PO4)2:Eu2+ (0 ˂ x ˂ 2) со структурой витлокита

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
LIGHT-EMITTING-DIODES
   EFFICIENT ENERGY-TRANSFER
   EMISSION-TUNABLE PHOSPHOR
   EXCITED WHITE LEDS
   CRYSTAL-STRUCTURE
   LUMINESCENCE PROPERTIES
   Mn2+ PHOSPHOR
   COLOR TONE
   PHASE
   Eu2+
Аннотация: Cation substitution dependent tunable bimodal photoluminescence behavior was observed in the Ca3-xSrx(PO4)2:Eu2+ (0 ≤ x ≤ 2) solid solution phosphors. The Rietveld refinements verified the phase purity and whitlockite type crystal structure of the solid solutions. The tunable photoluminescence evolution was studied as a function of strontium content, over the composition range 0.1 ≤ x ≤ 2. In addition to the emission band peak at 416 nm in Ca3(PO4)2:Eu2+, the substitution of Ca2+ by Sr2+ induced the emerging broad-band peak at 493-532 nm. A dramatic red shift of the emission peak located in the green-yellow region was observed on an increase of x in the samples with 0.75 ≤ x ≤ 2.00. The two emission bands could be related to the EuOn-Ca9 and EuOn-Ca9-xSrx emitting blocks, respectively. The values for the two kinds of emitting blocks in the solid solutions can be fitted well with the observed intensity evolution of the two emission peaks.

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Держатели документа:
China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia
Univ Auckland, Dept Chem & Mat Engn, Auckland 1142, New Zealand

Доп.точки доступа:
Ji, H. P.; Huang, Z. H.; Xia, Zhiguo; Molokeev, M. S.; Молокеев, Максим Сергеевич; Atuchin, V. V.; Атучин, Виктор Валерьевич; Huang, S. F.
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    Photoluminescence tuning via cation substitution in oxonitridosilicate phosphors: DFT calculations, different site occupations, and luminescence mechanisms / G. Li [et al.] // Chem. Mater. - 2014. - Vol. 26, Is. 9. - P. 2991-3001, DOI 10.1021/cm500844v. - Cited References: 62. - The authors would like to thank the Ministry of Science and Technology of Taiwan (Contract No. MOST 101-2113-M-002-014-MY3), the National Synchrotron Radiation Research Center, Taiwan, the National Natural Science Foundation of China (Grant No. NSFC 21301162), and the Fundamental Research Funds for the Central Universities (Grant No. CUG 130402) for financially supporting this research. Victor V. Atuchin gratefully acknowledges the Ministry of Education and Science of the Russian Federation for the financial support. . - ISSN 0897-4756. - ISSN 1520-5002
   Перевод заглавия: Управление фотолюминесценцией посредством замещения катионов в оксонитридосиликатных люминофорах: ТФП вычисления, заселения различных позиций и механизмы люминесценции

РУБ Chemistry, Physical + Materials Science, Multidisciplinary
Рубрики:
LIGHT-EMITTING-DIODES
   HIGH-TEMPERATURE SYNTHESIS
   LED CONVERSION PHOSPHORS
   CRYSTAL X-RAY
   WHITE-LIGHT
   ORDERED DISTRIBUTION
   GREEN PHOSPHOR
   LAYERED OXONITRIDOSILICATE
   REAL STRUCTURE
   AB-INITIO
Аннотация: Tuning and optimizing luminescent properties of oxonitridosilicates phosphors are important for white light-emitting diode (WLED) applications. To improve the color rendering index, correlated color temperature and thermal stability of layer-structured MSi2O2N2:Eu (M = Sr, Ba) phosphors, cation substitutions have been used to adjust their luminescent properties. However, the underlying mechanisms are still unclear. In this research, a series of (Sr1-xBax)Si2O2N2:Eu (0 ≤ x ≤ 1) compounds were prepared by solid-state reaction, after which systematic emission variations were investigated. The crystal structures of (Sr1-xBax)Si2O2N2:Eu (0 ≤ x ≤ 1) are nominally divided into three sections, namely, Phase 1 (0 ≤ x ≤ 0.65), Phase 2 (0.65 x 0.80), and Phase 3 (0.80 ≤ x ≤ 1) based on the X-ray diffraction measurements. These experimental results are further confirmed by optimizing the crystal structure data with first-principle calculations. Continuous luminescence adjustments from green to yellow are observed in Phase 1 with gradual replacement of Sr2+ with Ba2+, and the abnormal redshift is clarified through extended X-ray absorption fine structure analysis. Sr(Eu)-O/N bond length shrinkage in local structure causes the redshift emission, and the corresponding luminescence mechanism is proposed. Controllable luminescence in Phase 2 (from blue to white) and Phase 3 (from cyan to yellowish green) are observed. Based on the high-resolution transmission electron microscopy and selected area electron diffraction analysis, the two kinds of luminescence tuning are attributed to phase segregation. This study serves as a guide in developing oxonitride luminescent materials with controllable optical properties based on variations in local coordination environments through cation substitutions.

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Держатели документа:
Natl Taiwan Univ, Dept Chem, Taipei 106, Taiwan
China Univ Geosci, Fac Mat Sci & Chem, Wuhan 430074, Hubei, Peoples R China
SB RAS, Lab Crystal Phys, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
SB RAS, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Univ St Andrews, Sch Chem, EaSTCHEM, St Andrews KY16 9ST, Fife, Scotland
Natl Cent Univ, Ctr Neutron Beam Applicat, Zhongli 320, Taiwan
Natl Synchrotron Radiat Res Ctr, Hsinchu 300, Taiwan
Chongqing Univ Posts & Telecommun, Coll Math & Phys, Chongqing 400065, Peoples R China
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia

Доп.точки доступа:
Li, G.; Lin, C. C.; Chen, W.-T.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Atuchin, V. V.; Chiang, C.-Y.; Zhou, W.; Wang, C.-W.; Li, W.-H.; Sheu, H.-S.; Chan, T.-S.; Ma, C.; Liu, R.-S.
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10.

    Synthesis and electronic properties of β-RbNd(MoO4)2 / V. V. Atuchin [et al.] // Asian J. Chem. - 2014. - Vol. 26, No. 5. - P. 1284-1286, DOI 10.14233/ajchem.2014.17209. - Cited References: 26. - This study is partly supported by by the Ministry of Education and Science of the Russian Federation. . - ISSN 0970-7077
   Перевод заглавия: Синтез и электронные свойства бета-RbNd(MoO4)2

РУБ Chemistry, Multidisciplinary
Рубрики:
UP-CONVERSION PHOTOLUMINESCENCE
   VIBRATIONAL PROPERTIES
   CRYSTAL-STRUCTURE
   PARTICLES
   MOLYBDATE
   SPECTROSCOPY
   SYSTEM
   ER3+
Кл.слова (ненормированные):
β-RbNd(MoO4)2 -- Electronic structure -- Ab initio calculations -- X-Ray photoelectron spectroscopy
Аннотация: The electronic structure of β-RbNd(MoO4)2 has been evaluated from experimental and theoretical points of view. For the molybdate, X-ray photoelectron valence-band spectra have been measured. The total and partial densities of states of the constituent atoms of β-RbNd(MoO4)2 have been calculated using the FP-LAPW method. The FP-LAPW data reveal that main contributors in the valence-band region of β-RbNd(MoO4)2 are the Rb 4p-, Nd 4f-, Mo 4d- and O 2p-like states.

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Держатели документа:
SB RAS, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia
Natl Acad Sci Ukraine, Frantsevich Inst Problems Mat Sci, UA-03142 Kiev, Ukraine
SB RAS, Lab Oxide Syst, Baikal Inst Nat Management, Ulan Ude 670047, Russia
SB RAS, Lab Crystal Phys, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Hanseo Univ, Dept Adv Mat Sci & Engn, Seosan 356706, South Korea

Доп.точки доступа:
Atuchin, V. V.; Bekenev, V. L.; Chimitova, O. D.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, B. G.; Базаров Б. Г.; Bazarova, J. G.; Базарова Ж. Г.; Khuzhum, O. Y.; Lim, C. S.
}
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