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Shabanov, V. F.
Manifestation of vacancies in spectra of low frequencies and the calculations of migration energy in paradichlorobenzene and paradichlorobenzene at different temperatures / V. F. Shabanov, M. A. Korshunov // Fiz. Tverd. Tela. - 1995. - Vol. 37, Is. 11. - P. 3463-3469. - Cited References: 13 . - ISSN 0367-3294

РУБ Physics, Condensed Matter
Рубрики:
CRYSTAL
ALPHA

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Доп.точки доступа:
Korshunov, M. A.; Коршунов, Михаил Анатольевич; Шабанов, Василий Филиппович
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    Broad-Band Emission in a Zero-Dimensional Hybrid Organic [PbBr6] Trimer with Intrinsic Vacancies / J. Zhou [et al.] // J. Phys. Chem. Lett. - 2019. - Vol. 10, Is. 6. - P. 1337-1341, DOI 10.1021/acs.jpclett.9b00238. - Cited References: 28. - This work was supported by the National Natural Science Foundation of China (Grant Nos. 51722202, 91622125, 51572023, 11574003, 21833009, and 21533010) and the Natural Science Foundation of Beijing (2172036). We were grateful to Prof. Keli Han for his support to supply the femtosecond transient absorption spectroscopy device. . - ISSN 1948-7185
   Перевод заглавия: Широкополосная эмиссия в нульмерном гибридном органическом тримере [PbBr6] с внутренними вакансиями

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical
Рубрики:
WHITE-LIGHT EMISSION
HALIDE PEROVSKITES
LUMINESCENCE
Аннотация: The understanding of broad-band emission mechanisms on low-dimensional metal halides is an urgent need for the design principle of these materials and their photoluminescence tuning. Herein, a new zero-dimensional (0D) organic–inorganic hybrid material (C9NH20)6Pb3Br12 has been discovered, in which face-sharing PbBr6 trimer clusters crystallize with organic cations (C9NH20+), forming periodic structure with 0D blocks. Broad-band green emission peaking at about 522 nm was observed for this material, with a full width at half-maximum (fwhm) of 134 nm. The emission was attributed to excitons trapped at controlled intrinsic vacancies, and this is the new example in 0D metal halides, also confirmed by spectroscopy analysis and first-principles calculations. Discovery of the single-crystalline hybrid material and observation of defect-induced luminescence extend the scope of bulk 0D materials and understanding of photophysical properties for optoelectronic applications.

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Держатели документа:
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing Municipal Key Lab New Energy Mat & Techno, Beijing 100083, Peoples R China.
Anhui Normal Univ, Minist Educ, Key Lab Funct Mol Solids, Anhui Key Lab Optoelect Mat Sci & Technol, Wuhu 241000, Anhui, Peoples R China.
Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116000, Peoples R China.
RAS, Fed Res Ctr KSC SB, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangzhou 510641, Guangdong, Peoples R China.
South China Univ Technol, Inst Opt Commun Mat, Guangzhou 510641, Guangdong, Peoples R China.

Доп.точки доступа:
Zhou, Jun; Li, Mingze; Ning, Lixin; Zhang, Ruiling; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhao, Jing; Yang, Songqiu; Han, Keli; Xia, Zhiguo
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Cation Distribution in the Composite Materials of the CaFe2O4-α-Fe2O3 Series / Y. V. Knyazev [et al.] // J. Struct. Chem. - 2019. - Vol. 60, Is. 5. - P. 763-771, DOI 10.1134/S0022476619050081. - Cited References: 25. - The study was performed with the financial support of the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Krai, the Krasnoyarsk Regional Science Foundation within the project No. 18-42-243011 "The effect of the composition and the defective structure of CaFe2O4 based "core-shell" composite materials on their electronic and catalytic properties" and the UMNIK program. . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
PD/P-TYPE CAFE2O4
OXYGEN
CONDUCTIVITY
Кл.слова (ненормированные):
solid-phase synthesis -- scanning electron microscopy -- Mössbauer spectroscopy -- cation vacancies
Аннотация: Structured composite materials CaFe2O4-α-Fe2O3 (α-Fe2O3 content is 2–82 wt.%) are obtained with the method of solid-phase synthesis at 1000 °C. The phase composition of the samples is studied using powder X-ray diffraction. It is shown that the content of CaFe2O4 and α-Fe2O3 phases changes linearly, depending on the composition of the starting material. The scanning electron microscopy data indicate the formation of a two-phase system α-Fe2O3-CaFe2O4. The Mössbauer spectroscopy data at room temperature testify the formation of cationic iron vacancies in the CaFe2O4 crystal structure in the absence of α-Fe2O3 structural defects. Cationic vacancies can be formed during the synthesis in the atmosphere of air.

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Публикация на русском языке Особенности катионного распределения в композиционных материалах ряда СaFe2O4—α-Fe2O3 [Текст] / Ю. В. Князев [и др.] // Журн. структ. химии. - 2019. - Т. 60 № 5. - С. 796-805

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Fed Krasnoyarsk Res Ctr, Krasnoyarsk, Russia.
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Fed Krasnoyarsk Res Ctr, Krasnoyarsk, Russia.

Доп.точки доступа:
Knyazev, Yu. V.; Князев, Юрий Владимирович; Shishkina, N. N.; Bayukov, O. A.; Баюков, Олег Артемьевич; Kirik, N. P.; Solovyov, L. A.; Zhizhaev, A. M.; Rabchevsky, E. V.; Anshits, A. G.; Russian Foundation for Basic Research; Government of the Krasnoyarsk Krai; Krasnoyarsk Regional Science Foundation [18-42-243011]; UMNIK program
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Shabanov, V. F.
Migration of molecules in p-bromochlorobenzene with vacancies in its structure / V. F. Shabanov, M. A. Korshunov // Phys. Solid State. - 1998. - Vol. 40, Is. 10. - P. 1664-1666, DOI 10.1134/1.1130630. - Cited References: 8 . - ISSN 1063-7834
Аннотация: Based on polarization measurements of the low-frequency Raman spectra of p-bromochlorobenzene and calculations of the frequency spectra of lattice vibrations by the Dean method it is shown that the structure may contain vacancies. Their presence affects the appearance of additional lines in the low-frequency spectrum, particularly in the vicinity of 70 cm(-1), and their positions depend weakly on the orientational disorder of the molecules with respect to the para substituents. The activation energies for diffusion in a randomly disordered p-bromochlorobenzene crystal with vacancies in the structure is calculated from atom-atom potentials. It is shown that the value of the activation energy varies along a selected direction and depends on the arrangement of the p-bromochlorobenzene molecules with respect to the para substituents, in contrast to the results for ordered p-dibromobenzene and p-dichlorobenzene. (C) 1998 American Institute of Physics. [S1063-7834(98)01410-5].

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Публикация на русском языке Шабанов, Василий Филиппович. Миграция молекул в парабромхлорбензоле при наличии в структуре вакансий [Текст] / В. Ф. Шабанов, М. А. Коршунов // Физ. тверд. тела. - 1998. - Т. 40 Вып. 10. - С. 1835-1838

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Korshunov, M. A.; Коршунов, Михаил Анатольевич; Шабанов, Василий Филиппович
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Metal-semiconductor (semimetal) superlattices on a graphite sheet with vacancies / L. A. Chernozatonskii [et al.] // JETP Letters. - 2006. - Vol. 84, Is. 3. - P. 115-118, DOI 10.1134/S0021364006150033. - Cited References: 25 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
PSEUDOPOTENTIALS
FILMS
Аннотация: It has been found that periodically closely spaced vacancies on a graphite sheet cause a significant rearrangement of its electronic spectrum: metallic waveguides with a high density of states near the Fermi level are formed along the vacancy lines. In the direction perpendicular to these lines, the spectrum exhibits a semimetal or semiconductor character with a gap where a vacancy miniband is degenerated into impurity levels.

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Держатели документа:
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119991, Russia
Humboldt Univ, Inst Math, D-12489 Berlin, Germany
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660049, Russia
ИФ СО РАН
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, ul. Kosygina 4, Moscow, 119991, Russian Federation
Institute of Mathematics, Humboldt University of Berlin, Berlin, 12489, Germany
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660049, Russian Federation

Доп.точки доступа:
Chernozatonskii, L. A.; Sorokin, P. B.; Belova, E. E.; Bruning, J.; Fedorov, A. S.; Федоров, Александр Семенович
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Density-functional model cluster studies of EPR g tensors of F-s(+) centers on the surface of MgO / C. . Di Valentin [et al.] // J. Chem. Phys. - 2006. - Vol. 124, Is. 4. - Ст. 44708, DOI 10.1063/1.2161190. - Cited References: 37 . - ISSN 0021-9606

РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
ELECTRONIC G-TENSORS
   CORRELATION-ENERGY
   MGO(001) SURFACE
   OXYGEN VACANCIES
   SPIN-ORBIT
   G-VALUES
   ATOMS
   APPROXIMATION
   COMPLEXES
   MOLECULES
Кл.слова (ненормированные):
Density-functional model cluster -- Single-crystalline thin films -- Spin-orbit interaction -- Anisotropy -- Paramagnetic resonance -- Single crystals -- Tensors -- Thin films -- Magnesium compounds
Аннотация: We report g tensors of surface color centers, so-called F-s(+) centers, of MgO calculated with two density-functional approaches using accurately embedded cluster models. In line with recent UHV measurements on single-crystalline MgO film, we determined only small g-tensor anisotropies and negative shifts Delta g equivalent to g-g(e) for all F-s(+) sites considered, namely, (001)-terrace, step, edge, and corner sites. The g values are very sensitive to the local structure of the defect: relaxation reverses the sign of Delta g. However, accounting for the spin-orbit interaction either self-consistently or perturbatively yields very similar results. In addition to the values of the tensor components, their direction with respect to the surface was determined. In contrast to edges, significant deviations from ideal C-2v symmetry were found for F-s(+) centers at steps. Recent data on single-crystalline thin films are reevaluated in the light of these results. (c) 2006 American Institute of Physics.

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Держатели документа:
ICREA, Barcelona 08010, Spain
Univ Barcelona & Parc Cientif Barcelona, Dept Quim Fis, Barcelona 08028, Spain
Univ Barcelona & Parc Cientif Barcelona, Ctr Especial Recerca Quim Teor, Barcelona 08028, Spain
Max Planck Gesell, Fritz Haber Inst, Dept Phys Chem, D-14195 Berlin, Germany
Russian Acad Sci, Inst Chem & Chem Technol, Krasnoyarsk 660049, Russia
Univ Milan Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy
Tech Univ Munich, Dept Chem Theoret Chem, D-85747 Garching, Germany
ИХХТ СО РАН
Dipartimento di Scienza dei Materiali, Universit? degli Studi Milano-Bicocca, 20125 Milano, Italy
Institucio Catalana de Recerca i Estudis Avanats (ICREA), 08010 Barcelona, Spain
Departament de Quimica Fisisca, Centre Especial de Recerca en Quimica Teorica, Parc Cientific de Barcelona, 08028 Barcelona, Spain
Fritz-Haber Institut, Max-Planck Gesellschaft, Department of Chemical Physics, Faradayweg 4-6, D-14195 Berlin, Germany
Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk, Russian Federation
Department Chemie, Theoretische Chemie, Technische Universitat Munchen, 85747 Garching, Germany

Доп.точки доступа:
Di Valentin, C.; Neyman, K. M.; Risse, T.; Sterrer, M.; Fischbach, E.; Freund, H. J.; Nasluzov, V. A.; Pacchioni, G.; Rosch, N.
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Ferromagnetism induced by oxygen vacancies in mullite Bi2Fe4O9 / S. S. Aplesnin, L. V. Udod, M. N. Sitnikov [et al.] // VIII Euro-Asian symposium "Trends in magnetism" (EASTMAG-2022) : Book of abstracts / program com. S. G. Ovchinnikov [et al.]. - 2022. - Vol. 1, Sect. : Low dimensional magnetism. - Ст. C.O1. - P. 327-328. - Cited References: 3 . - ISBN 978-5-94469-051-7

Материалы симпозиума, ,
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
Reshetnev Siberian State University of Science and Technology, Krasnoyarsk, Russia

Доп.точки доступа:
Ovchinnikov, S. G. \program com.\; Овчинников, Сергей Геннадьевич; Aplesnin, S. S.; Аплеснин, Сергей Степанович; Udod, L. V.; Удод, Любовь Викторовна; Sitnikov, M. N.; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Romanova, O. B.; Романова, Оксана Борисовна; 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)
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Determination of Vacancies Allocation in a Monocrystal of a P-Dichlorobenzene Using a Method of the Raman Spectroscopy [Текст] / Korshunov M.A. // arXiv. - 2008. - Ст. 0802.2482

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Korshunov, M.A.
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Manifestation of Vacancies in a Spectrum of Organic Molecular Crystal Lattice Vibrations [Текст] / M. A. Korshunov // arXiv. - 2008. - Ст. 0802.2480

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Korshunov, M.A.
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10.

538.915
Т 33


    Теоретическое исследование влияния деформации на электронную структуру монослоя гексагонального нитрида бора / М . В. Сержантова, А. А. Кузубов, А. С. Федоров [и др.] // Вестник Сибирского государственного аэрокосмического университета им. академика М.Ф. Решетнева. - 2011. - № 3. - С. 150-155 . - ISSN 1816-9724
   Перевод заглавия: Theoretical study of the influence of deformation on the electronic structure of a hexagonal boron nitride monolayer

ГРНТИ	29.19
УДК	538.915

Рубрики:

Кл.слова (ненормированные):
адатомы -- adatoms -- hexagonal boron nitride monolayer (h-bn) -- density functional theory (dft) -- electronic structure -- vacancies -- монослой гексагонального нитрида бора (h-bn) -- теория функционала плотности (dft) -- электронная структура -- вакансии
Аннотация: Работа посвящена исследованию влияния деформации на электронную структуру и свойства монослоя гексагонального нитрида бора, а также изучению поведения адатомов бора и азота на поверхности монослоя.
Work is devoted research of influence of deformation on electronic structure and properties of a monolayer hexagonal boron nitride, and also to behavior studying adatoms of boron and nitrogen on a monolayer surface.

РИНЦ
Держатели документа:
Институт физики имени Л. В. Киренского Сибирского отделения Российской академии наук
Институт цветных металлов и материаловедения Сибирского федерального университета
Сибирский государственный технологический университет

Доп.точки доступа:
Сержантова, Мария Викторовна; Serzhantova M.V.; Кузубов, Александр Александрович; Kuzubov, A. A.; Федоров, Александр Семенович; Fedorov, A. S.; Томилин, Феликс Николаевич; Tomilin, F. N.; Краснов, Павел Олегович; Krasnov P. O.
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