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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Shinkorenko A. S.
Заглавие : Lattice dynamics and phase transitions in a crystal Ba2ZnTeO6
Место публикации : Phys. Solid State. - 2022. - Vol. 64, Is. 12. - P.1986-1992. - ISSN 10637834 (ISSN), DOI 10.21883/PSS.2022.12.54395.445. - ISSN 10906460 (eISSN)
Примечания : Cited References: 12. - The calculations were performed using the computer resources ”Integrated simulation and processing of data of mega-class scientific research units” of National Research Centre” Kurchatov Institute“ (http://ckp.urcki.ru)
Аннотация: The lattice dynamics of Ba2ZnTeO6 double perovskite in three phases has been studied. Vibrational spectra and dynamic charges are calculated. In the rhomobohedral phase R3¯m, soft modes were found; after their condensation, the C2/m phase was obtained, which agrees with the experiment. An assessment was made of the dependence of the enthalpy of different phases on pressure; it showed that the monoclinic phase is more favorable at 0 pressure, but as the pressure increases to 2.9 GPa, the cubic phase Fm3¯m becomes advantageous.
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2.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Gavrichkov V. A., Polukeev S. I.
Заглавие : Magnetic interaction in doped 2D perovskites with nanoscale inhomogenety: lattice nonlocal effects vs superexchange
Коллективы : "Сильно коррелированные электронные системы и квантовые критические явления", конференция, Российская академия наук, Физический институт им. П.Н. Лебедева РАН
Место публикации : XIX Конференция "Сильно коррелированные электронные системы и квантовые критические явления": сборник тезисов/ чл. прогр. ком. С. Г. Овчинников и др. - Москва, 2022. - P.194-196. - ISBN 978-5-4344-0954-4
Примечания : Библиогр.: 1
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3.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Vtyurin A. N., Krylov A. S., Krylova S. N., Gerasimova J. V., Ivanenko A. A., Voronov V. N.
Заглавие : Temperature phase transitions in Rb2KRe3+F6 elpasolites
Место публикации : Perovskites and other framework structure crystalline materials: 2d-perovskites, aurivillius, ruddlesden-popper, dion-jacobson phases, tungsten bronzes, clays, and others: Collaborating Academics, 2021. - P.309-326. - (Artificially created materials and applications; Vol. 1)
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Deng, Chenkai, Hao, Shiqiang, Liu, Kunjie, Molokeev M. S., Wolverton, Christopher, Fan, Liubing, Zhou, Guojun, Chen, D.a., Zhao, Jing, Liu, Quanlin
Заглавие : Broadband light emitting zero-dimensional antimony and bismuth-based hybrid halides with diverse structures
Коллективы : Beijing Municipal Natural Science FoundationBeijing Natural Science Foundation [2182080]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51972021, 51702329]; Fundamental Research Funds for the Central UniversitiesFundamental Research Funds for the Central Universities [FRF-IDRY-19-005]; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]; Department of Energy, Office of Science Basic Energy SciencesUnited States Department of Energy (DOE) [DE-SC0014520]
Место публикации : J. Mater. Chem. C. - 2021. - Vol. 9, Is. 44. - P.15942-15948. - ISSN 2050-7526, DOI 10.1039/d1tc04198c. - ISSN 2050-7534(eISSN)
Примечания : Cited References: 52. - This work was supported by Beijing Municipal Natural Science Foundation (2182080) and the National Natural Science Foundation of China (51972021 and 51702329). The work was partly supported by the Fundamental Research Funds for the Central Universities (FRF-IDRY-19-005) and by the RFBR according to the research project No. 19-52-80003. S. H. and C. W. (DFT calculations) acknowledge support from the Department of Energy, Office of Science Basic Energy Sciences under Grant DE-SC0014520. Access to QUEST, the supercomputing resources facilities at Northwestern University, is also acknowledged
Предметные рубрики: CRYSTAL-STRUCTURE
LONE-PAIR
EMISSION
PEROVSKITES
TIN
LUMINESCENCE
Аннотация: Low-dimensional organic–inorganic metal halides have recently attracted extensive attention because of their various structures and distinguished photoelectric properties. Herein, we report a series of new zero-dimensional organic–inorganic hybrid metal halides: (TMEDA)3Bi2Cl12·H2O, (TMEDA)3Bi2Br12·H2O, (TMEDA)3Sb2Br12·H2O, and (TMEDA)5Sb6Cl28·2H2O [TMEDA = N,N,N′·trimethylethylenediamine]. (TMEDA)3M2X12·H2O (M = Bi or Sb, X = Cl or Br) crystallizes in the monoclinic space group P21/n, and (TMEDA)5Sb6Cl28·2H2O crystallizes in the orthorhombic space group Pnma. (TMEDA)3M2X12 possesses a zero-dimensional structure with the metal halide ions of [MBr6]3− isolated by the organic TMEDA2+ cations. Interestingly, the (TMEDA)5Sb6Cl28·2H2O structure consists of a combination of corner-connected octahedra [Sb4Cl18]6− and edge-shared [Sb2Cl10]4−, which is quite rare. The light emission of all these compounds was measured, and (TMEDA)3Sb2Br12·H2O exhibits the most intense luminescence. Upon 400 nm ultraviolet light excitation, (TMEDA)3Sb2Br12·H2O exhibited strong broadband yellow emission centered at 625 nm with a full-width at half-maximum of ∼150 nm originating from self-trapped excitons. This work suggests the possibility of new types of hybrid halides by introducing different metal centers and probing the structural evolution and photoluminescent properties, serving as a reference for the relationship between structure and luminescent performance and demonstrating their potential use as phosphors in light-emitting diodes.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Xiao, Hui, Dang, Peipei, Yun, Xiaohan, Li, Guogang, Wei, Yi, Wei, Yi, Xiao, Xiao, Zhao, Yajie, Molokeev M. S., Cheng, Ziyong, Lin, Jun
Заглавие : Solvatochromic photoluminescent effects in all-inorganic manganese(II)-based perovskites by highly selective solvent-induced crystal-to-crystal phase transformations
Место публикации : Angew. Chem. - 2021. - Vol. 133, Is. 7. - P.3743-3751. - ISSN 1521-3757 (eISSN), DOI 10.1002/ange.202012383
Примечания : Cited References: 73. - This work was supported by National Natural Science Foundation of China (NSFC 51932009, 51772288, 52072349, 51672259) and the Joint Fund Project to Promote Science and Technology Cooperation Across the Taiwan Straits (U2005212), the Science and Technology Cooperation Fund between Chinese and Australian Governments (2017YFE0132300), CAS-Croucher Funding Scheme for Joint Laboratories (CAS18204), Chinese Academy of Sciences (YZDY-SSWJSC018)
Аннотация: The development of lead‐free perovskite photoelectric materials has been an extensive focus in the recent years. Herein, a novel one‐dimensional (1D) lead‐free CsMnCl3(H2O)2 single crystal is reported with solvatochromic photoluminescence properties. Interestingly, after contact with N,N‐dimethylacetamide (DMAC) or N,N‐dimethylformamide (DMF), the crystal structure can transform from 1D CsMnCl3(H2O)2 to 0D Cs3MnCl5 and finally transform into 0D Cs2MnCl4(H2O)2. The solvent‐induced crystal‐to‐crystal phase transformations are accompanied by loss and regaining of water of crystallization, leading to the change of the coordination number of Mn2+. Correspondingly, the luminescence changes from red to bright green and finally back to red emission. By fabricating a test‐paper containing CsMnCl3(H2O)2, DMAC and DMF can be detected quickly with a response time of less than one minute. These results can expand potential applications for low‐dimensional lead‐free perovskites.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Xiao, Hui, Dang, Peipei, Yun, Xiaohan, Li, Guogang, Wei, Y.i., Xiao, Xiao, Zhao, Yajie, Molokeev M. S., Cheng, Ziyong, Lin, Jun
Заглавие : Solvatochromic Photoluminescent Effects in All-Inorganic Manganese(II)-Based Perovskites by Highly Selective Solvent-Induced Crystal-to-Crystal Phase Transformations
Место публикации : Angew. Chem. Int. Edit. - 2021. - Vol. 60, Is. 7. - P.3699-3707. - ISSN 1433-7851, DOI 10.1002/anie.202012383. - ISSN 1521-3773(eISSN)
Примечания : Cited References: 85. - This work was supported by National Natural Science Foundation of China (NSFC 51932009, 51772288, 52072349, 51672259) and the Joint Fund Project to Promote Science and Technology Cooperation Across the Taiwan Straits (U2005212), the Science and Technology Cooperation Fund between Chinese and Australian Governments (2017YFE0132300), CAS-Croucher Funding Scheme for Joint Laboratories (CAS18204), Chinese Academy of Sciences (YZDY-SSWJSC018)
Предметные рубрики: LEAD-FREE
HALIDE PEROVSKITE
NANOCRYSTALS
MN2+
LUMINESCENCE
Аннотация: The development of lead‐free perovskite photoelectric materials has been an extensive focus in the recent years. Herein, a novel one‐dimensional (1D) lead‐free CsMnCl3(H2O)2 single crystal is reported with solvatochromic photoluminescence properties. Interestingly, after contact with N,N‐dimethylacetamide (DMAC) or N,N‐dimethylformamide (DMF), the crystal structure can transform from 1D CsMnCl3(H2O)2 to 0D Cs3MnCl5 and finally transform into 0D Cs2MnCl4(H2O)2. The solvent‐induced crystal‐to‐crystal phase transformations are accompanied by loss and regaining of water of crystallization, leading to the change of the coordination number of Mn2+. Correspondingly, the luminescence changes from red to bright green and finally back to red emission. By fabricating a test‐paper containing CsMnCl3(H2O)2, DMAC and DMF can be detected quickly with a response time of less than one minute. These results can expand potential applications for low‐dimensional lead‐free perovskites.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ma, Yalin, Molokeev M. S., Zhu, Chuanhui, Zhao, Shuang, Han, Yifeng, Wu, Meixia, Liu, Sizhan, Tyson, Trevor A., Croft, Mark, Li, Man-Rong
Заглавие : Magnetic transitions in exotic perovskites stabilized by chemical and physical pressure
Место публикации : J. Mater. Chem. C. - 2020. - Vol. 8, Is. 15. - P.5082-5091. - ISSN 2050-7526, DOI 10.1039/c9tc06976c. - ISSN 2050-7534(eISSN)
Примечания : Cited References: 79. - This work was financially supported by the National Science Foundation of China (NSFC-21801253, 11804404 and 21875287) and the National Science Foundation (NSF) Grant No. DMR-1809931. Structural analysis of exotic materials in this study was partly supported by the Research Grant No. 075-15-2019-1886 from the Government of the Russian Federation. The XANES work at the Brookhaven National Laboratory, NSLS-II, was supported by the DOEBES (DE-SC0012704). The NSLS-II work was performed on beamline 7-BM and the authors gratefully acknowledge the invaluable help of the beamline scientists Steven Ehrlich and Syed Khalid.
Предметные рубрики: COLOSSAL MAGNETORESISTANCE
CATION ORDER
RMN3O6 R
T-C
TEMPERATURE
Аннотация: Exotic perovskites significantly enrich materials for multiferroic and magnetoelectric applications. However, their design and synthesis is a challenge due to the mostly required recipe conditions at extremely high pressure. Herein, we presented the Ca2−xMnxMnTaO6 (0 ≤ x ≤ 1.0) solid solutions stabilized by chemical pressure assisted with intermediate physical pressure up to 7 GPa. The incorporation of Mn2+ into the A-site neither drives any cationic ordering nor modifies the orthorhombic Pbnm structure, namely written as (Ca1−x/2Mnx/2)(Mn1/2Ta1/2)O3 with disordered A and B site cationic arrangements. The increment of x is accompanied by a ferromagnetic to antiferromagnetic transition around x = 0.2, which is attributed to the double-exchange interactions between A-site Mn2+ and B-site Mn3+. Partial charge disproportionation of the B-site Mn3+ into Mn2+ and Mn4+ occurs for x above 0.8 samples as manifested by X-ray spectrum and magnetic behaviors. The coexistence of B-site Mn3+ (Jahn–Teller distortion ion) and B′-site Ta5+ (second-order Jahn–Teller distortion ion) could be energetically responsible for the absence of A-site columnar ordering as observed in other quadruple perovskites with half of the A-sites occupied by small transition-metal cations. These exceptional findings indicate that exotic perovskites can be successfully stabilized at chemical and intermediate physical pressure, and the presence of Jahn–Teller distortion cations at the same lattice should be avoided to enable cationic ordering.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Dudnikov V. A., Orlov Yu. S., Bushinsky M. V., Solovyov L. A., Vereshchagin S. N., Gavrilkin, S. Yu, Tsvetkov, A. Yu, Gorev M. V., Novikov S. V., Mantytskaya O. S., Ovchinnikov S. G.
Заглавие : Structural, magnetic, electronic, and dilatation properties of the ordered solid solutions Ln0.2Sr0.8CoO3-δ (Ln = Sm, Gd, Dy) with the same oxygen nonstoichiometry index δ
Коллективы : Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [19-03-00017]; RFBRRussian Foundation for Basic Research (RFBR) [18-52-00017, F18R-119]; BRFFR [18-52-00017, F18R-119]; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory [18-42-243004, SB RAS V.45.3.3]
Место публикации : J. Alloy. Compd. - 2020. - Vol. 830. - Ст.154629. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2020.154629. - ISSN 1873-4669(eISSN)
Примечания : Cited References: 44. - The work was financially supported by Russian Foundation for Basic Research (grant No. 19-03-00017); RFBR and BRFFR as a part of scientific project No. 18-52-00017 and project F18R-119; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project: "New thermoelectric materials based on multi-scale spatially inhomogeneous substituted rare-earth cobalt oxides and the Ruddlesden-Popper phases " project No. 18-42-243004, Project of Basic Research SB RAS V.45.3.3.
Предметные рубрики: LN(1-X)SR(X)COO(3-DELTA) LN
COBALTATE PEROVSKITES
Аннотация: Single-phase samples of the layered perovskite-like cobalt oxides Ln0.2Sr0.8CoO3-δ (Ln = Sm, Gd, Dy) with the same oxygen nonstoichiometry index δ = 0.37 ± 0.01 were synthesized. All samples are characterized by a tetragonal unit cell with the space group I4/mmm. The structural, magnetic, electric transport and dilatation properties of the obtained samples are investigated. The studied samples are characterized by two anomalies in magnetic properties, a high-temperature maximum near Тm = 350 К with magnetic field hysteresis below Tm, and a diffuse peak in the intermediate temperature range, which shifts with ionic radius decrease of the rare-earth element to higher temperatures. The high-temperature maxima of the magnetic susceptibility correlate with anomalies in thermal expansion, heat capacity and the features in the temperature dependences of the electrical resistivity, pointing to a strong relationship between the structural, magnetic and electronic degrees of freedom. The given comparative analysis of the experimental data of various substituting rare-earth elements with the same oxygen nonstoichiometry has been carried out for the first time.
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Li, Mingze, Molokeev M. S., Zhao, Jing, Xia, Zhiguo
Заглавие : Optical functional units in zero-dimensional metal halides as a paradigm of tunable photoluminescence and multicomponent chromophores
Место публикации : Adv. Opt. Mater. - 2020. - Vol. 8, Is. 8. - Ст.1902114. - ISSN 2195-1071, DOI 10.1002/adom.201902114
Примечания : Cited References: 38. - This work was supported by the National Natural Science Foundation of China (Nos. 51961145101, 51722202, and 51972118), Fundamental Research Funds for the Central Universities (D2190980), the Guangdong Provincial Science & Technology Project (2018A050506004), and this work was also funded by RFBR according to the Research Project No. 19-52-80003
Предметные рубрики: PEROVSKITES
LUMINESCENCE
ABSORPTION
EMISSION
Аннотация: Zero-dimensional (0D) organic–inorganic hybrid luminescent metal halides have many promising optoelectronic applications; however, the single building unit in the 0D framework restricts their multimode optical control and photoluminescence tuning. Thus, it remains urgent but challenging to rationally design distinct anionic polyhedral with different optical functions and further expand this family by an equivalent cation substitution and halogen replacement. Herein, (C9NH20)9[Pb3X11](MX4)2 (X = Br and Cl, M = Mn, Fe, Co, Ni, Cu, and Zn) is successfully synthesized verifying the rationality of the design philosophy, and the optical characterizations demonstrate the effects of X‐position anions and M‐position cations on luminescence process. Intriguingly, both [Pb3X11]5− and [MX4]2− perform as inorganic building units in this 0D system and optically active centers, in which the former leads to high‐efficiency broad‐band yellow/green emission originating from self‐trapped excitons and the as‐observed multicomponent chromophores are derived from the absorption of the latter in the visible light region. The present work highlights the importance of different optical functional units showing synergistic effects on the physical properties and inspires future studies to explore multifunctional application of 0D luminescent metal halides.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Jun, Li, Mingze, Molokeev M. S., Sun, Jiayue, Xu, Denghui, Xia, Zhiguo
Заглавие : Tunable photoluminescence in Sb3+-doped zero-dimensional hybrid metal halides with intrinsic and extrinsic self-trapped excitons
Место публикации : J. Mater. Chem. C. - 2020. - Vol. 8, Is. 15. - P.5058-5063. - ISSN 2050-7526, DOI 10.1039/d0tc00391c. - ISSN 2050-7534(eISSN)
Примечания : Cited References: 33. - This work is supported by the National Natural Science Foundation of China (No. 51722202, 51961145101, 51972118, 21576002 and 61705003), Fundamental Research Funds for the Central Universities (D2190980), the Guangdong Provincial Science & Technology Project (2018A050506004), and Beijing Technology and Business University Research Team Construction Project (No. PXM2019_014213_000007). This work was also funded by RFBR according to the Research Project No. 19-52-80003.
Предметные рубрики: WHITE-LIGHT EMISSION
LUMINESCENCE
PEROVSKITES
CS2NASCCL6
CS2NAYCL6
Аннотация: Dopants in luminescent metal halides provide an alternative way for photoluminescence tuning towards versatile optical applications. Here we report a trivalent antimony (Sb3+)-doped single crystalline 0D metal halide with the composition of (C9NH20)9[Pb3Cl11](ZnCl4)2:Sb3+. This compound possessed the coexistence of two emission centers including intrinsic and extrinsic self-trapped excitons (STEs), which are ascribed to [Pb3Cl11]5− clusters and triplet STEs formed by the 3P1–1S0 transition of Sb3+. By regulating the Sb3+ concentration, the emission can be tuned from green to yellow and finally to orange, which would help to develop optically pumped white light-emitting diodes (WLEDs) with different photometric characteristics. Moreover, this dopant-induced extrinsic STE approach presents a new direction towards tuning the luminescence properties of 0D metal halides, and may find application in environmentally-friendly, high-performance metal halide light emitters.
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