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    A novel red-emitting La2CaHfO6:Mn4+ phosphor based on double perovskite structure for pc-WLEDs lighting / G. C. Xing [et al.] // CrystEngComm. - 2019. - Vol. 21, Is. 23. - P. 3605-3612, DOI 10.1039/c9ce00556k. - Cited References: 47. - This work is financially supported by the National Natural Science Foundation of China (NSFC No. 51672259). . - ISSN 1466-8033
   Перевод заглавия: Новый красный люминофор La2CaHfO6: Mn4+ на основе структуры двойного перовскита для светодиодных ламп pc-WLED

РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
LUMINESCENCE PROPERTIES
   ELECTRONIC-STRUCTURE
   OPTICAL-PROPERTIES
   SITE
Аннотация: Non-rare earth doped oxides with red emission are one of the current research hotspots for achieving the warm white light range in the phosphor converted white light emitting diodes (pc-WLEDs) field. In the current work, a novel Mn4+-activated La2CaHfO6 red phosphor is reported for the first time and its crystal structure is analyzed by Rietveld refinement. The photoluminescent properties of La2CaHfO6:Mn4+ are investigated in detail with the help of diffuse refletance spectroscopy, photoluminescence spectroscopy, and temperature-dependent PL spectroscopy. Based on the diffuse refletance spectra, the calculated optical band gap for La2CaHfO6 is 4.9 eV, indicating that La2CaHfO6 could be a suitable host for activators' doping. Under 380 nm near-ultraviolet (n-UV) light excitation, the as-prepared La2CaHfO6:Mn4+ displays intense red emission centered at 693 nm. Through an accurate calculation of Dq/B (2.47) and nephelauxetic effect β1 (0.949), the origination of strong crystal field (CF) and deep-red emission is demonstrated. By combining the representative La2CaHfO6:0.002Mn4+, blue BAM:Eu2+, and green (Ba,Sr)2SiO4:Eu2+ phosphors with a 380 nm UV chip to fabricate the pc-WLEDs device, a white light is obtained with low correlated color temperature (CCT = 5165 K) and high color rendering index (Ra = 87.8), demonstrating that the as-prepared La2CaHfO6:Mn4+ phosphors can be used as red-emitting candidate in pc-WLEDs lighting.

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Держатели документа:
China Univ Geosci, Fac Mat Sci & Chem, Minist Educ, Engn Res Ctr Nanogeomat, 388 Lumo Rd, Wuhan 430074, Hubei, Peoples R China.
FRC KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Xing, Gongcheng; Feng, Yuxin; Gao, Zhiyu; Tao, Mengxuan; Wang, Hongquan; Wei, Y.i.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Li, Guogang
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Aleksandrov, K. S.
Architecture and properties of perovskite-like crystals / K. S. Aleksandrov, B. V. Beznosikov // Ferroelectrics. - 1999. - Vol. 226, Is. 1-4. - P. 1-9, DOI 10.1080/00150199908230285. - Cited References: 9 . - ISSN 0015-0193

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter

Кл.слова (ненормированные):
perovskites -- perovskite-like crystals -- new representatives of Ruddlesden-Popper's phases -- New representatives of Ruddlesden-Popper's phases -- Perovskite-like crystals -- Perovskites
Аннотация: A variety of the known structures of perovskite-like crystals including cation- and anion-deficient phases were considered as the intergrowth systems of slabs containing n-layers (n = 1,2, 3,...infinity) of corner-linked octahedra BX6, pyramids EX5 or square-planar nets BX4 (B-cation, X- anion) linked by intermediate blocks of different types.([1- 3]) Some new structural types and new representatives of ferroelectrics, ferroelastics and HTSC's can be constructed on this basis. The prognosis of new possible representatives in Ruddlesden-Popper's family is discussed.
A variety of the known structures of perovskite-like crystals including cation- and anion-deficient phases were considered as the intergrowth systems of slabs containing n-layers (n = 1, 2, 3, . . . ?) of corner-linked octahedra BX6, pyramids BX5 or square-planar nets BX4 (B-cation, X-anion) linked by intermediate blocks of different types.[1-3] Some new structural types and new representatives of ferroelectrics, ferroelastics and HTSC's can be constructed on this basis. The prognosis of new possible representatives in Ruddlesden-Popper's family is discussed.

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Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Александров, Кирилл Сергеевич; USA-CIS-Baltic Seminar on Ferroelectricity(3 ; Jun 01-06, 1997 ; Bozeman, Montana)
}
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Aleksandrov, K. S.
Architecture of perovskite-like crystals / K. S. Aleksandrov, B. V. Beznosikov // Crystallogr. Rep. - 1997. - Vol. 42, Is. 4. - P. 556-566 . - ISSN 1063-7745
Аннотация: The structures of the well-known perovskite-like crystals, including stoichiometric and both cation- and anion-dencient compounds, are considered as intergrowth systems of stacks consisting either of n layers (n = 1 - ?) connected via the vertices of the BX6 octahedra or of combinations of layers of octahedra, BX5 pyramids, and planar networks of BX4 squares with intermediate block layers of various types. The classification of stacks and block layers in these structures is suggested. Based on this classification, the known structure types are considered and new structure types, including various possible superconductor structures, are predicted.

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Публикация на русском языке Александров, Кирилл Сергеевич. Архитектура перовскитоподобных кристаллов [Текст] / К. С. Александров, Б. В. Безносиков // Кристаллография. - 1997. - Т. 42 Вып. 4. - С. 613-623

Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Александров, Кирилл Сергеевич
}
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Aleksandrov, K. S.
Architecture of perovskite-like ferroelectrics and HT-supercoductors / K. S. Aleksandrov, B. V. Beznosikov // J. Korean Phys. Soc. - 1998. - Vol. 32: Suppl. - P. S1790-S1792. - Cited References: 7 . - ISSN 0374-4884

РУБ Physics, Multidisciplinary

Аннотация: Structures of the known perovskite-like crystals are considered as the systems of slabs containing n layers (n = 1, 2,..., infinity) vertices-linked octahedra BX6, pyramids BX5 or planar square nets BX4 (B - cation, X - anion) intergrowing with blocks of different types. Using these fragments whole variety of stoichiometric, cation-and anion-deficient structures can be constructed and many new perovskite-like layered crystals including ferroelectrics, ferroelastics and HTSC's may be found.

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Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Александров, Кирилл Сергеевич; International Meeting on Ferroelectricity(9 ; 1997 ; 25-29 Aug. ; Seoul, South Korea)
}
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    Aleksandrov, K. S.
    Hierarchies of perovskite-like crystals (Review) / K. S. Aleksandrov, V. V. Beznosikov // Phys. Solid State. - 1997. - Vol. 39, Is. 5. - P. 695-715, DOI 10.1134/1.1130120. - Cited References: 143 . - ISSN 1063-7834
Рубрики:
CU-O SYSTEM
   HIGH-PRESSURE SYNTHESIS
   SUPERCONDUCTING COPPER OXIDES
   STRUCTURAL PHASE-TRANSITIONS
   NEUTRON POWDER DIFFRACTION
   SINGLE-CRYSTAL
   X-RAY
   CUPRATE SUPERCONDUCTORS
   DIELECTRIC-PROPERTIES
   HOMOLOGOUS SERIES
Аннотация: A system of mutual relationships (a hierarchy) is constructed between various perovskite-like crystal structures based on available structural data. All the perovskite-like structures are characterized by a common indicator of their relationship-the presence of layers, stacks, or frameworks made up of BX6 octahedra linked at their vertices (where B is a cation, X is an anion) or fragments of octahedra in the form of BX5 pyramids or BX4 squares in anion-deficient compounds. In layered structures, these stacks are joined to each other by various intermediate blocks. It is well known that one homological series of compounds is constructed by increasing the number of layers in a stack while preserving the same kind of connecting block. Crystals of various series that contain identical stacks (but different blocks of one or two types) can also be related to one another via this feature. The hierarchical system includes compounds with small distortions in their structures for various reasons. (C) 1997 American Institute of Physics.

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Публикация на русском языке Александров, Кирилл Сергеевич. Иерархия перовскитоподобных кристаллов (Обзор) [Текст] / К. С. Александров, Б. В. Безносиков // Физ. тверд. тела. - Санкт-Петербург, 1997. - Т. 39 Вып. 5. - С. 785-808

Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Александров, Кирилл Сергеевич
}
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Aleksandrov, K. S.
Octahedral tilt phases in perovskite-like crystals with slabs containing an even number of octahedral layers / K. S. Aleksandrov, J. Bartolome // Journal of Physics: Condensed Matter. - 1994. - Vol. 6, Is. 40. - Ст. 013. - P. 8219-8235, DOI 10.1088/0953-8984/6/40/013 . - ISSN 0953-8984
Аннотация: The possible combinations of different octahedral tilts are considered for layered crystals having an even number of octahedral layers in perovskite-like slabs. A simple method to determine the resultant space-group symmetry is proposed, and the distorted phases are enumerated, both for a single kind of tilt around axes of the initial structure G 0=I4/mmm and for superpositions of different tilts in the slabs. Some of the tilt systems correspond to symmetry changes due to definite irreducible representations of G 0. In the single-layered crystals, l=1, A 2BX 4. Some of the representations correspond to lattice modes observed experimentally. No such modes have been found yet for even-layered (l=2n) crystals. A comparison with known experimental data is performed. The data obtained can be used for the proposition of 'trial models' in the course of structural analysis of related crystals.

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Доп.точки доступа:
Bartolome, J.; Александров, Кирилл Сергеевич
}
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    Aleksandrov, K. S.
    Phase transition due to octahedral tilts in several families of crystals related to perovskite / K. S. Aleksandrov // Journal of the Physical Society of Japan. - 1980. - Vol. 49, Supplement B. - P. 60-63 . - ISSN 0031-9015
   Перевод заглавия: Фазовые переходы в семействах кристаллов, родственных перовскиту

Материалы конференции

Доп.точки доступа:
Александров, Кирилл Сергеевич; Japanese-Soviet symposium on ferroelectricity(2 ; 1980 ; Sept. 6-11 ; Kyoto, Japan)Советско-японский симпозиум по сегнетоэлектричеству(2 ; 1980 ; 6-11 сент. ; Киото, Япония)
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Aleksandrov, K. S.
Structural distortions in families of perovskite-like crystals / K. S. Aleksandrov, J. . Bartolome // Phase Transit. - 2001. - Vol. 74, Is. 3. - P. 255-335, DOI 10.1080/01411590108228754. - Cited References: 262 . - ISSN 0141-1594

РУБ Crystallography + Physics, Condensed Matter
Рубрики:
LOW-TEMPERATURE PHASE
   INELASTIC-NEUTRON-SCATTERING
   POWDER PROFILE REFINEMENT
   MII = CO
   X-RAY
   RAMAN-SCATTERING
   ORDERED PEROVSKITE
   RHOMBOHEDRAL PEROVSKITES
   RB2KMIIIF6 ELPASOLITES
   MAGNETIC-PROPERTIES
Кл.слова (ненормированные):
structural phase transitions -- perovskites -- perovskite-like crystals -- group theoretical classification
Аннотация: The crystallographic and group theoretical analysis of the structural phase transitions in perovskite and perovskite-like crystals is reviewed. We include ABX(3) perovskites and their relative crystals of ReO3 type (G(0) = O-h(1)), elpasolites, cryolites and their relatives (G(0) = O-h(5)) layered crystals of TIAIF(4) series (G(0) = D-4h(1)), Aurivillius and Ruddlesden-Popper series (G(0) = D-4h(17)). The structures in their initial phase G(0) often contain n layers (n = 1, 2,3) of vertex linked octahedra. The distorted phases produced by one kind of tilt and by superposition of tilts in the slabs are enumerated. Most of the tilts correspond to symmetry changes, which can be associated to definite librational lattice modes irreducible representations of the G(0) group. The softening of modes associated to the PT has been found experimentally in many perovskites, elpasolites and layered crystals with n = 1. In contrast, no such soft modes have been found yet for even-layered (n = 2) crystals. Examples of successive phase transitions due to the superposition of tilts in these types of crystals have been collected.

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Держатели документа:
LV Kirenskii Inst Phys, Siberian Branch, Russian Acad Sci, Krasnoyarsk 660036, Russia
Univ Zaragoza, CSIC, Inst Ciencias Mat Aragon, Zaragoza, Spain
ИФ СО РАН

Доп.точки доступа:
Bartolome, J.; Александров, Кирилл Сергеевич
}
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Aleksandrov, K. S.
Successive structural phase-transitions in layered perovskite-like crystals .1. Crystals of the TLALF4 type / K. S. Aleksandrov // Kristallografiya. - 1987. - Vol. 32, Is. 3. - P. 661-672 ; Crystallogr. Rep. - Cited References: 28 . - ISSN 0023-4761

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Публикация на русском языке Александров, Кирилл Сергеевич. Последовательные структурные переходы в слоистых перовскитоподобных кристаллах. 1. Кристаллы типа TIAlF4 [Текст] / К. С. Александров // Кристаллография. - 1987. - Т. 32 Вып. 3. - С. 661-672

Доп.точки доступа:
Александров, Кирилл Сергеевич

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10.

    Alloying Cs+ into Rb2ZrCl6:Te4+ toward highly efficient and stable perovskite variants / J. Zhou, X. M. Rong, M. S. Molokeev [et al.] // Mat. Chem. Front. - 2021. - Vol. 5, Is. 13. - P. 4997-5003, DOI 10.1039/d1qm00302j. - Cited References: 37. - This work is supported by Beijing Natural Science Foundation (No. 2214068), the National Natural Science Foundation of China (No. 61705003), and the Beijing Technology and Business University Research Team Construction Project (No. PXM2019_014213_000007 and PXM2020_014213_000017) . - ISSN 2052-1537
   Перевод заглавия: Легирование Cs+ в Rb2ZrCl6:Te4 + для получения высокоэффективного и стабильного перовскита

РУБ Chemistry, Multidisciplinary + Materials Science, Multidisciplinary
Рубрики:
TELLER
   PHOTOLUMINESCENCE
   TELLURIUM(IV)
   COMPLEXES
   PHOSPHORS
Аннотация: Doping or alloying in perovskites and perovskite variants provides a promising way for modulating the electronic and photoluminescence properties and the structural stability. In this work, a series of yellow-emitting Rb2−xCsxZrCl6:Te4+ solid solution phosphors were prepared by a hydrothermal method, and their broad emission is assigned to the triplet 3P1–1S0 self-trapped excitons (STEs). Upon increasing the alloying ion Cs+, the yellow emission can be greatly enhanced by a stronger Jahn–Teller distortion. Moreover, Cs2ZrCl6:Te4+ shows a high photoluminescence quantum yield (PLQY), and impressive thermal and anti-water stability. This doping–alloying strategy presents a new direction towards designing lead-free, high-performance and stable perovskite derivatives.

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Держатели документа:
Beijng Technol & Business Univ, Dept Phys, Beijing 100048, Peoples R China.
Shenzhen Univ, Guangdong Res Ctr Interfacial Engn Funct Mat, Shenzhen Engn Lab Adv Technol Ceram, Shenzhen Key Lab Special Funct Mat,Coll Mat Sci &, Shenzhen 518060, Peoples R China.
SB RAS, 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.

Доп.точки доступа:
Zhou, Jun; Rong, Ximing; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, Yulong; Yun, Xiangyan; Xu, Denghui; Li, Xiong; Beijing Natural Science FoundationBeijing Natural Science Foundation [2214068]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [61705003]; Beijing Technology and Business University Research Team Construction Project [PXM2019_014213_000007, PXM2020_014213_000017]
}
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11.

Beznosikov, B. V.
Crystal-chemistry, phase-transitions, and physical-properties of halide crystals with perovskite-like structure / B. V. Beznosikov, A. T. Anistratov, K. S. Aleksandrov // Inorg. Mater. - 1982. - Vol. 18, Is. 10. - P. 1406-1411. - Cited References: 13 . - ISSN 0020-1685

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Публикация на русском языке Безносиков, Борис Валерьевич. Кристаллохимия, ФП и физические свойства галоидных кристаллов с перовскитоподобной структурой [Текст] / Б. В. Безносиков, А. Т. Анистратов, К. С. Александров // Изв. АН СССР. Сер. Неорганические материалы. - 1982. - Т. 18 № 10. - С. 1640–1644

Доп.точки доступа:
Anistratov, A. T.; Анистратов, Анатолий Тихонович; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Безносиков, Борис Валерьевич
}
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12.

Beznosikov, B. V.
Layer perovskite-like crystals with CsCl-type blocks / B. V. Beznosikov, K. S. Aleksandrov // Crystallogr. Rep. - 2001. - Vol. 46, Is. 2. - P. 246-252, DOI 10.1134/1.1358402. - Cited References: 17 . - ISSN 1063-7745
Аннотация: The crystal chemistry of layer perovskite-like structures with CsCl-type blocks have been analyzed. Some characteristic features of their formation are described and new praphases are derived, possible oxyhalides and oxides are indicated. (C) 2001 MAIK "Nauka/Interperiodica".

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Публикация на русском языке Безносиков, Борис Валерьевич. Слоистые перовскитоподобные кристаллы с блоками типа CsCl [Текст] / Б. В. Безносиков, К. С. Александров // Кристаллография. - 2001. - Т. 46 Вып. 2. - С. 287-293

Держатели документа:
Russian Acad Sci, Siberian Div, Inst Phys, Krasnoyarsk, Russia
ИФ СО РАН

Доп.точки доступа:
Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Безносиков, Борис Валерьевич
}
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13.

    Beznosikov, B. V.
    Layered perovskite-like crystals with (Al+Cl) stacks in the structure / B. V. Beznosikov, K. S. Aleksandrov // J. Struct. Chem. - 2000. - Vol. 41, Is. 6. - P. 1004-1008, DOI 10.1023/A:1010363124148. - Cited References: 16 . - ISSN 0022-4766
Рубрики:
CUPRATE
   DESIGN
Аннотация: Crystal-chemical analysis has been performed on layered perovskite-like structures with (Al+Cl) binary stacks, which are combinations of anionic octahedra with halves of degenerate octahedra (semioctahedra). Crystal data are reported for 56 possible prephases, of which 54 are new ones. Recommendations for syntheses of new compounds are given.

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Публикация на русском языке Безносиков, Борис Валерьевич. Слоистые перовскитоподобные кристаллы с пакетами (Al+Сl) [Текст] / Б. В. Безносиков, К. С. Александров // Журн. структ. химии. - 2000. - Т. 41 № 6. - С. 1213-1219

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

Доп.точки доступа:
Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Безносиков, Борис Валерьевич
}
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14.

Beznosikov, B. V.
Perovskite-like crystals of the Ruddlesden-Popper series / B. V. Beznosikov, K. S. Aleksandrov // Crystallogr. Rep. - 2000. - Vol. 45, Is. 5. - P. 792-798, DOI 10.1134/1.1312923. - Cited References: 28 . - ISSN 1063-7745

РУБ Crystallography
Рубрики:
CUPRATE
OXIDES
Аннотация: The layer perovskite-like structures of the so-called Ruddlesden-Popper phases have been analyzed in terms of crystal chemistry. The geometrical boundaries of the existence ranges of these compounds with multilayer stacks are determined and new phases of this type are predicted. The possible variants of related structures are also considered. (C) 2000 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Безносиков, Борис Валерьевич
}
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15.

Beznosikov, B. V.
Perovskite-like crystals of the Ruddlesden-Popper series / B. V. Beznosikov, K. S. Aleksandrov // Kristallogr. - 2000. - Vol. 45, Is. 5. - P. 864-870 ; Crystallogr. Rep. . - ISSN 0023-4761

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Публикация на русском языке Безносиков, Борис Валерьевич. Перовскитоподобные кристаллы ряда Руддлесдена-Поппера [Текст] / Б. В. Безносиков, К. С. Александров // Кристаллография. - 2000. - Т. 45 Вып. 5. - С. 864-870

Доп.точки доступа:
Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Безносиков, Борис Валерьевич

}
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16.

Beznosikov, B. V.
Prediction of pra-phases of layered perovskite-like structures with cation vacancies / B. V. Beznosikov, K. S. Aleksandrov // J. Struct. Chem. - 2002. - Vol. 43, Is. 1. - P. 172-175, DOI 10.1023/A:1016098521933 . - ISSN 0022-4766

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Публикация на русском языке Безносиков, Борис Валерьевич. Прогноз прафаз слоистых перовскитоподобных структур с катионными вакансиями [Текст] / Б. В. Безносиков, К. С. Александров // Журн. структ. химии. - Новосибирск : Изд-во СО РАН, 2002. - Т. 43 № 1. - С. 184-187

Доп.точки доступа:
Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Безносиков, Борис Валерьевич
}
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17.

    Bismuth activated full spectral double perovskite luminescence materials by excitation and valence control for future intelligent LED lighting / Y. Wei, H. Yang, Z. Y. Gao [et al.] // Chem. Commun. - 2020. - Vol. 56, Is. 64. - P. 9170-9173, DOI 10.1039/d0cc03975f. - Cited References: 27. - This work was supported by the National Natural Science Foundation of China (Grant No. 51672259) and the Fundamental Research Funds for the National Universities, China University of Geosciences (Wuhan) (No. 1910491T02) . - ISSN 1359-7345. - ISSN 1364-548X
   Перевод заглавия: Активированные висмутом люминесцентные материалы двойных перовскитов, с полным спектром излучения, который получается за счет управления возбуждением и валентностью, для интеллектуального светодиодного освещения в будущем

РУБ Chemistry, Multidisciplinary
Рубрики:
PHOTOLUMINESCENCE
   PHOSPHORS
   Bi3+
   MODULATION
   CRYSTAL
Аннотация: A novel La2Mg1.14Zr0.86O6:Bi3+ double perovskite phosphor with excitation-induced blue/green photoluminescence tuning is reported. By designing Bi3+ → Eu3+ energy transfer, single-composition white light with wide-scale adjustable corrected color temperatures (CCTs) is successfully achieved. This work initiates a new insight to explore phosphors with excitation-induced photoluminescence tuning and wide CCT control for future intelligent LED lighting.

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Держатели документа:
China Univ Geosci, Engn Res Ctr Nanogeomat, Minist Educ, Fac Mat Sci & Chem, Wuhan 430074, Hubei, Peoples R China.
Fed Res Ctr KSC SB RAS, 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.

Доп.точки доступа:
Wei, Y.i.; Yang, Hang; Gao, Zhiyu; Xing, Gongcheng; Molokeev, M. S.; Молокеев, Максим Сергеевич; Li, Guogang
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18.

Calculation and Comparison of Electronic, Vibrational, Polarization, and Magnetic Properties of Double Perovskites CaMnTi2O6 and CaFeTi2O6 / N. D. Andryushin, V. I. Zinenko, M. S. Pavlovskii, A. S. Shinkorenko // J. Exp. Theor. Phys. - 2019. - Vol. 129, Is. 6. - P. 1036-1044, DOI 10.1134/S1063776119110013. - Cited References: 18. - This work was supported by the Russian Foundation for Basic Research (project no. 18-02-00130-a) . - ISSN 1063-7761
Кл.слова (ненормированные):
Antiferromagnetism -- Crystal lattices -- Density functional theory -- Electronic properties -- Ferroelectricity -- Ground state -- Iron compounds -- Perovskite -- Spin polarization
Аннотация: Vibrational, polarization, magnetic, and electronic properties of double perovskites CaMnTi2O6 and CaFeTi2O6 with a rare type of “column” ordering of divalent metal cations have been calculated based on the density functional theory. Analysis of the crystal lattice dynamics for paraelectric phase P42/nmc of both compounds has revealed that ferroelectric instability exists only in CaMnTi2O6. It is found that the structure distortion of the paraphrase of CaMnTi2O6 in the eigenvector of the unstable polar mode leads to a structure with the P42/nmc space group. The calculated spontaneous polarization for the ferroelectric phase of CaMnTi2O6 is Ps = 25 μC/cm2. The spin-polarization calculations have shown that the ground state is ferromagnetic in the CaFeTi2O6 crystal and antiferromagnetic in the CaMnTi2O6 crystal. The exchange interaction constants have been calculated using the Heisenberg model and the mean field approximation; the phase transition temperature for each compound has been estimated.

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Публикация на русском языке Расчет и сравнение электронных, колебательных, поляризационных и магнитных свойств двойных перовскитов CaMnTi2O6 и CaFeTi2O6 [Текст] / Н. Д. Андрюшин [и др.] // Журн. эксперим. и теор. физ. - 2019. - Т. 156 Вып. 6. - С. 1137-1146

Держатели документа:
Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Scientific Center,” Siberian Branch,Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Andryushin, N. D.; Андрюшин, Никита Дмитриевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Shinkorenko, A. S.; Шинкоренко, Алексей Сергеевич
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19.

Calorimetric and x-ray diffraction studies of the (NH4)(3)WO3F3 and (NH4)(3)TiOF5 perovskite-like oxyfluorides / I. N. Flerov [et al.] // Phys. Solid State. - 2004. - Vol. 46, Is. 5. - P. 915-921, DOI 10.1134/1.1744971. - Cited References: 11 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
ELPASOLITE
K3MOO3F3
Аннотация: The heat capacity and unit cell parameters of the (NH4)(3)WO3F3 and (NH4)(3)TiOF5 perovskite-like oxyfluorides were measured in the temperature interval from 80 to 300 K; the existence of two and one phase transitions in these compounds, respectively, was demonstrated, and their thermodynamic parameters were determined. The effect of a hydrostatic pressure of up to 0.5 GPa on the phase transition temperatures was studied. Triple points and high-pressure phases were found in the T vs. p diagrams. An analysis of entropy changes suggests that all the structural transformations revealed are associated with the ordering of structural blocks. (C) 2004 MAIK "Nauka / Interperiodica".

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Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Chem, Far E Div, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Institute of Chemistry, Far East Division, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Bovina, A. F.; Бовина, Ася Федоровна; Laptash, N. M.
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20.

    Composition design, optical gap and stability investigations of lead-free halide double perovskite Cs2AgInCl6 / J. Zhou [et al.] // J. Mater. Chem. A. - 2017. - Vol. 5, Is. 29. - P. 15031-15037, DOI 10.1039/c7ta04690a. - Cited References: 42. - The present work was supported by the National Natural Science Foundation of China (Grants 91622125 and 51572023), Natural Science Foundations of Beijing (2172036), and Fundamental Research Funds for the Central Universities (FRF-TP-16-002A3). XZ acknowledges the support from the National Key Research and Development Program of China Grant No. 2016YFB0700700. . - ISSN 2050-7488
   Перевод заглавия: Моделирование состава, оптический зазор и исследования стабильности безсвинцового галогенидного двойного перовскита Cs2AgInCl6
Кл.слова (ненормированные):
Crystal growth -- Design for testability -- Energy gap -- Optical properties -- Perovskite -- Perovskite solar cells -- Solar absorbers -- Solar cells -- Structural design -- Band gap engineering -- Direct-gap semiconductor -- Environmentally benign -- Hydrothermal crystal growth -- Hydrothermal reaction -- Optoelectronic applications -- Rock salt structures -- Solar cell absorbers -- Crystal structure
Аннотация: The discovery of lead-free double perovskites provides a feasible way of searching for air-stable and environmentally benign solar cell absorbers. Herein we report the design and hydrothermal crystal growth of double perovskite Cs2AgInCl6. The crystal structure, morphology related to the crystal growth habit, band structure, optical properties, and stability are investigated in detail. This perovskite crystallized in a cubic unit cell with the space group Fm3m and is composed of [AgCl6] and [InCl6] octahedra alternating in a ordered rock-salt structure, and the as-obtained crystal size is dependent on the hydrothermal reaction time. Cs2AgInCl6 is a direct gap semiconductor with a wide band gap of 3.23 eV obtained experimentally and 3.33 eV obtained by DFT calculation. This theoretically predicted and experimentally confirmed optical gap is a prototype of the band gaps that are direct and optically allowed except at the single high-symmetry k-point, which didn't raise interest before but have potential applications in future technologies. Cs2AgInCl6 material with excellent moisture, light and heat stability shows great potential for photovoltaic and other optoelectronic applications via further band gap engineering. © 2017 The Royal Society of Chemistry.

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Держатели документа:
Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Shenzhen Key Laboratory of Micro-Nano Photonic Information Technology, College of Electronic Science and Technology, Shenzhen University, Guangdong, China
College of Optoelectronic Engineering, Shenzhen University, Guangdong, China

Доп.точки доступа:
Zhou, J.; Xia, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, X.; Peng, D.; Liu, Q.
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