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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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Nemtsev, A. V.
Ab initio study of the polarization, electronic, magnetic, and optical properties of perovskite SrMO3 (M = Fe, Mn) crystals and thin films containing magnetic ions / A. V. Nemtsev, V. S. Zhandun, V. I. Zinenko // J. Exp. Theor. Phys. - 2018. - Vol. 126, Is. 4. - P. 497-505, DOI 10.1134/S1063776118030056. - Cited References: 30 . - ISSN 1063-7761
Кл.слова (ненормированные):
Antiferromagnetism -- Density functional theory -- Electronic properties -- Iron compounds -- Manganese compounds -- Optical properties -- Perovskite -- Perovskite solar cells -- Polarization -- Strontium compounds
Аннотация: The magnetic, electronic, and polarization properties of the SrFeO3 and SrMnO3 compounds with a perovskite structure are calculated using the density functional theory in the bulk and thin-film states. A ferroelectric instability is found to be absent in the bulk state, and the polar mode is softened in the thin-film state of SrMnO3 in the presence of tensile stresses in the substrate. As a result, a polar phase with a polarization of 23 μC/cm2 appears, which agrees with experimental data. The study of the magnetic and electronic properties demonstrates the existence of G-type antiferromagnetic ordering in SrMnO3 and the appearance of a dielectric gap of about 1.5 eV in its thin film. A ferromagnetic phase with metallic conduction in both the bulk and thin-film states is detected in SrFeO3.

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Публикация на русском языке Немцев, Андрей В. Исследования ab initio электронных, магнитных и оптических свойств кристаллов и тонких пленок перовскитов SrMeOs (Me = Fe, Mn), содержащих магнитные ионы [Текст] / А. В. Немцев, В. С. Жандун, В. И. Зиненко // Журн. эксперим. и теор. физ. - 2018. - Т. 153 Вып. 4. - С. 605-614

Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Немцев, Андрей В.
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    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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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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Pavlovskii, M. S.
Band structure, lattice dynamics and magnetoelectric properties of double perovskite La2CuTiO6 / M. S. Pavlovskii, A. S. Shinkorenko, V. I. Zinenko // VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016) : abstracts / ed.: O. A. Maksimova, R. D. Ivantsov. - Krasnoyarsk : KIP RAS SB, 2016. - Ст. P3.17. - P. 201 . - ISBN 978-5-904603-06-9
Кл.слова (ненормированные):
lattice dynamics -- magnetoelectrics

Доп.точки доступа:
Shinkorenko, A. S.; Шинкоренко, Алексей Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Павловский, Максим Сергеевич; Euro-Asian Symposium "Trends in MAGnetism"(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); "Trends in MAGnetism", Euro-Asian Symposium(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); Институт физики им. Л.В. Киренского Сибирского отделения РАН

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    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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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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10.

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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11.

Ovchinnikov, S. G.
Comparison of electronic structure, magnetic mechanism, and symmetry of pairing in ruthenates and cuprates / S. G. Ovchinnikov ; ed. C Noce [et al.] // Ruthenate and rutheno-cuprate materials: unconventional superconductivity, magnetism and quantum phase transitions. Ser. lecture notes in physics : Springer Verlag, 2002. - Vol. 603: International Conference on Ruthenate and Rutheno-Cuprate Materials (OCT 25-27, 2001, VIETRI SUL MARE, ITALY). - P. 239-255. - Cited References: 48 . - ISBN 0075-8450. - ISBN 3-540-44275-8

РУБ Physics, Multidisciplinary + Physics, Condensed Matter
Рубрики:
METAL-INSULATOR-TRANSITION
   SUPERCONDUCTOR SR2RUO4
   LAYERED PEROVSKITE
   BAND-STRUCTURE
   CORRELATED ELECTRONS
   MOTT TRANSITION
   COPPER OXIDES
   HUBBARD-MODEL
   RUSR2GDCU2O8
   CA2-XSRXRUO4
Аннотация: A generalized tight-binding (GTB) method is developed to calculate quasi-particle band structure with explicit account for strong electronic correlations. The GTB method combines exact diagonalization of the multi-orbital P-d model Hamiltonian within the unit cell and the perturbation theory in the Hubbard X-operators form for the inter-cell hopping and interactions. For undoped cuprates we obtain the valence band structure in excellent agreement with ARPES data, evolution of the band structure with doping with an in-gap state at small doping, impurity-like band at higher doping to optimally doped metal. The effective low-energy Hamiltonian has the form of singlet-triplet t-J model. For ruthenates the t-J-I model is proposed with both antiferromagnetic J and ferromagnetic I couplings. In the strong correlation limit, the mean-field theory of superconductivity results in d-wave singlet pairing mediated by J (cuprates) and p-wave triplet one mediated by I (ruthenates) with ratio T-c((d))/T-c((p)) similar to 100 due to the different symmetry of the gap. The competition of ferromagnetic and antiferromagnetic order in rutheno-cuprates is also discussed.

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

Доп.точки доступа:
Noce, C \ed.\; Vecchione, A \ed.\; Cuoco, M \ed.\; Cuoco, \ed.\; Овчинников, Сергей Геннадьевич
}
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12.

Kuz'min, E. V.
Comparison of superconductivity in Sr2RuO4 and copper oxides / E. V. Kuz'min, S. G. Ovchinnikov, I. O. Baklanov // Phys. Rev. B. - 2000. - Vol. 61, Is. 22. - P. 15392-15397, DOI 10.1103/PhysRevB.61.15392. - Cited References: 21 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
T-J MODEL
   HUBBARD-MODEL
   LAYERED PEROVSKITE
   ELECTRONS
Аннотация: To compare the superconductivity in strongly correlated electron systems with the antiferrornagnetic fluctuations in the copper oxides and with the ferromagnetic fluctuations in Sr2RuO4 a t-J-l model is proposed. The antiferromagnetic coupling J results in the superconducting state of d(x2-y2) symmetry and the ferromagnetic coupling I results in the spin-triplet p-type state. The difference in the gap anisotropies provides the large difference in T-c values, for the typical values of the coupling constants: T-c similar to 1 K for the ruthenste and T-c similar to 100 K for the cuprates.

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Держатели документа:
Krasnoyarsk State Univ, Krasnoyarsk 660062, Russia
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Baklanov, I. O.
}
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13.

    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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14.

    Coordination units of Mn2+ modulation toward tunable emission in zero-dimensional bromides for white light-emitting diodes / G. J. Zhou, J. L. Ding, X. X. Jiang [et al.] // J. Mater. Chem. C. - 2022. - Vol. 10, Is. 6. - P. 2095-2102, DOI 10.1039/d1tc05680h. - Cited References: 57. - The present work was supported by the Natural Science Foundation of China (21871167), the 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (2019XBY018), the Beijing Natural Science Foundation (No. 2214068) and funded by RFBR according to the research project no. 19-52-80003 . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Модуляция координационных блоков с Mn2+ для управляемой люминесценции в нульмерных бромидах для белых светодиодов

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
HALIDE PEROVSKITE NANOCRYSTALS
RECENT PROGRESS
DOPING MN2+
Аннотация: Organic–inorganic metal halides have become a multifunctional platform for manipulating photoluminescence due to highly efficient and tunable emissions, especially for lead-free Mn2+-based halides. Herein, the zero-dimensional (0D) bromides of (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 with different coordination environments were designed and synthesized by a solvent evaporation method. They exhibit green and red broadband emission peaks at 528 nm and 627 nm with high photoluminescence quantum yields of 86.83% and 61.91%, respectively, which are attributed to the d–d transition (4T1(G) → 6A1(S)) of [MnBr4]2− tetrahedral and [Mn3Br12]6− octahedral units. The cases emphasize the effect of organic ligands on the intrinsic emissions of Mn2+ ions, thereby revealing the luminescence mechanism of Mn2+ ions in 0D isolated structures through the Tanabe–Sugano (TS) energy diagram. Thanks to their bright and stable emissions, the fabricated white light-emitting diode (LED) based on (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 provides an outstanding color rendering index (Ra) of 90.8 at a correlated color temperature (CCT) of 3709 K, along with the CIE chromaticity coordinates of (0.3985, 0.3979) and a luminous efficacy of 51.2 lm W−1. This work aims at clarifying the relationship between the coordination units of Mn2+ and tunable emissions, and in particular, proposes a new strategy to explore phosphors excited by blue light for white LEDs.

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Держатели документа:
Shanxi Normal Univ, Sch Chem & Mat Sci, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, Taiyuan 030006, Peoples R China.
Chinese Acad Sci, China Tech Inst Phys & Chem, Beijing 100190, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Dept Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Beijng Technol & Business Univ, Dept Phys, Beijing 100048, Peoples R China.
Taiyuan Univ Technol, Coll Chem & Chem Engn, Key Lab Interface Sci & Engn Adv Mat, Minist Educ, Taiyuan 030024, Shanxi, Peoples R China.

Доп.точки доступа:
Zhou, Guojun; Ding, Jialiang; Jiang, Xingxing; Zhang, Jian; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ren, Qiqiong; Zhou, Jun; Li, Shili; Zhang, Xian-Ming
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15.

Crystal structure and electronic states of Co and Gd ions in a Gd0.4Sr0.6CoO2.85 single crystal / M. S. Platunov [et al.] // JETP Letters. - 2016. - Vol. 103, Is. 3. - P. 196-200, DOI 10.1134/S0021364016030139. - Cited References:20. - This work was supported in part by the Russian Foundation for Basic Research (project nos. 13-02-00958, 13-02-00358, 14-02-31051, and 16-32-60049), by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. SP-938.2015.5), and by the program "UMNIK." The X-ray diffraction and thermochemical studies were supported by the Siberian Branch, Russian Academy of Sciences (project no. V.45.3.1). . - ISSN 0021-3640. - ISSN 1090-6487

РУБ Physics, Multidisciplinary
Рубрики:
X-RAY-ABSORPTION
   PROFILE REFINEMENT
   PEROVSKITE
   CHARGE
   SPIN
Аннотация: X-ray diffraction and X-ray absorption near edge structure (XANES) spectra have been measured at the Со K-edge and Gd L3-edge in GdCoO3 and Gd0.4Sr0.6CoO2.85 cobaltites. The effect of Sr substitution on the crystal structure and electronic and magnetic states of Co3+ ions in a Gd0.4Sr0.6CoO2.85 single crystal has been analyzed. The XANES measurements at the Co K-edge have not showed a noticeable shift of the absorption edge with an increase in the concentration of Sr. This indicates that the effective valence of cobalt does not change. An increase in the intensity of absorption at the Gd L3-edge is due to an increase in the degree of hybridization of the Gd(5d) and O(2p) states. The effect of hole doping on the magnetic properties results in the appearance of the ferromagnetic component and in a significant increase in the magnetic moment.

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Публикация на русском языке Кристаллическая структура и электронные состояния ионов Co и Gd в монокристалле Gd0.4Sr0.6CoO2.85 [Текст] / М. С. Платунов [и др.] // Письма в Журн. эксперим. и теор. физ. : Наука, 2016. - Т. 103 Вып. 3-4. - С. 214-219

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia.
Natl Res Ctr Kurchatov Inst, Pl Akad Kurchatova 1, Moscow 123182, Russia.
Natl Res Nucl Univ MEPhI, Kashirskoe Sh 31, Moscow 115409, Russia.

Доп.точки доступа:
Platunov, M. S.; Платунов, Михаил Сергеевич; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Kazak, N. V.; Казак, Наталья Валерьевна; Solovyov, L. A.; Соловьев, Леонид Александрович; Zubavichus, Y. V.; Veligzhanin, A. A.; Dorovatovskii, P. V.; Vereshchagin, S. N.; Shaykhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Russian Foundation for Basic Research [13-02-00958, 13-02-00358, 14-02-31051, 16-32-60049]; Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [SP-938.2015.5]; program "UMNIK"; Siberian Branch, Russian Academy of Sciences [V.45.3.1]
}
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16.

    Crystal structure and phase transitions of a layered perovskite-like CsScF4 crystal / A. S. Krylov [et al.] // CrystEngComm. - 2016. - Vol. 18, Is. 43. - P. 8472-8486, DOI 10.1039/c6ce01144f. - Cited References:47. - The authors are grateful to Prof. I. N. Flerov for valuable support and useful discussions. This work was partly supported by the Russian Foundation for Basic Research, Project 16-02-00102. The research is partially conducted within the framework of the state task of the Ministry of Education and Science of the Russian Federation for Siberian Federal University on R&D performance in 2014 (Task 3.2534.2014/K). X-ray data from powders, Raman NMR, and IR spectra were obtained with use the analytical equipment of Krasnoyarsk Center of collective use SB RAS. . - ISSN 1466-8033
   Перевод заглавия: Кристаллическая структура и фазовые переходы в слоистом перовскитоподобном кристалле CsScF4

РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
NEGATIVE THERMAL-EXPANSION
RAMAN-SCATTERING
LATTICE-DYNAMICS
Аннотация: This work is devoted to the complex research on temperature phase transitions in a CsScF4 crystal. The crystal structure was solved and refined at different temperatures by using the Rietveld method. Structural phase transitions were investigated by using the following spectroscopic methods, some of them for the first time: Brillouin spectroscopy, Raman spectroscopy, IR absorption spectroscopy and NMR. The symmetry analysis of the Brillouin zone center of all phases is presented. The vibrational spectra of the crystal in three phases have been calculated. The structural phase transition mechanism was determined. The transitions at T-1 = 475 K and T-2 = 317.5 K are of displacement type. The Raman soft modes have been associated with rotations of the ScF6 octahedral group.

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Держатели документа:
SB RAS, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
SB RAS, Inst Automat & Electrometry, Novosibirsk 630090, Russia.

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Misyul, S. V.; Krylova, S. N.; Крылова, Светлана Николаевна; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Zykova, V. A.; Ivanov, Y. N.; Иванов, Юрий Николаевич; Sukhovsky, A. A.; Суховский, Андрей Андреевич; Voronov, V. N.; Воронов, Владимир Николаевич; Safonov, I. N.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Russian Foundation for Basic Research [16-02-00102]
}
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17.

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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18.

Crystallographic classification of distortions in layer perovskite-like crystals of K2NiF4 type. Structural phase-transition in Rb2CdCl4 / K. S. Aleksandrov [et al.] // Phase Transit. - 1987. - Vol. 8, Is. 4. - P. 352. - Cited References: 3 . - ISBN 0141-1594
Рубрики:
Condensed Matter

WOS

Доп.точки доступа:
Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Beznosikov, B. V.; Безносиков, Борис Валерьевич; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Kruglik, A. I.; Круглик, Анатолий Иванович; European crystallographic meeting(10 ; 1986 ; Aug ; 5-9 ; Wroclaw, Poland)
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19.

Effect of deuteration on the thermal properties and structural parameters of the (NH4)(2)WO2F4 oxyfluoride / I. N. Flerov [et al.] // Phys. Solid State. - 2007. - Vol. 49, Is. 6. - P. 1149-1156, DOI 10.1134/S1063783407060212. - Cited References: 11 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PEROVSKITE-LIKE OXYFLUORIDES
   PHASE-TRANSITIONS
   (NH4)(3)WO3F3
   (NH4)(3)TIOF5
Аннотация: The thermal properties and structure of (ND4)(2)WO2F4 crystals are investigated. It is established that deuteration does not lead to a change in the symmetry of the initial phase Cmcm but considerably decreases the extent of its disordering, which, in turn, brings about a substantial decrease in the phase transition entropy. Apart from the anomalies associated with phase transitions characteristic of the protonic compound, the heat capacity exhibits two additional anomalies. Analysis of the phase diagram of the deuterated crystal reveals a triple point at a pressure p = 0.18 GPa, which is predicted for (NH4)(2)WO2F4 at about 0.7 GPa.

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Держатели документа:
LV Kirenskii Inst Phys, Russian Acad Sci, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Gorev, M. V.; Горев, Михаил Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bovina, A. F.; Бовина, Ася Федоровна; Kocharova, A. G.; Кочарова, Алла Георгиевна
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20.

Kuz'min, E. V.
Effect of frustrations on magnetism in the Ru double perovskite Sr2YRuO6 / E. V. Kuz'min, S. G. Ovchinnikov, D. J. Singh // Phys. Rev. B. - 2003. - Vol. 68, Is. 2. - Ст. 24409, DOI 10.1103/PhysRevB.68.024409. - Cited References: 24 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
MOTT TRANSITION
   LATTICE
   SPIN
   ANTIFERROMAGNETISM
   SUPERCONDUCTIVITY
   FERROMAGNETISM
Аннотация: Localized Ru5+ spins in Sr2YRuO6 form a fcc lattice with an antiferromagnetic (AFM) nearest-neighbor (NN) coupling J approximate to 25 meV and rather low Neel temperature T-N= 26 K. Analysis of the electronic structure of Sr2RuO4 results in the effective Heisenberg model. We have studied the effect of frustrations on the AFM type-I structure of Sr2YRuO6 in the spin-wave approximation. In the model with only NN coupling the AFM state is unstable due to frustrations, and T-N = 0. Stabilization of the AFM state occurs due to the next-nearest-neighbor coupling I or due to the magnetic anisotropy D. Very small values D/J similar to I/J less than or equal to 10(-3) are enough to obtain the experimental values of T-N and sublattice magnetization m = 1.85 mu(B) /Ru (62% from the nominal S = 3/2 value).

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Держатели документа:
Krasnoyarsk State Univ, Krasnoyarsk 660074, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
USN, Res Lab, Ctr Computat Mat Sci, Washington, DC 20375 USA
ИФ СО РАН

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Singh, D. J.
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