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Pressure-indused phase transition in cubic ScF3 crystal / Aleksandrov K.S., Voronov V.N., Vtyurin A.N., Krylov A.S., Molokeev M.S., Pavlovskiy M.S., Goryainov S.V., Lihacheva A.N., Ancharov A.I. // 9th Russai/CIS/Baltic/Japan symposium on ferroelectricity : abstracts book : June 15-19, 2008, Vilnius, Lithuania. - p. 116

Доп.точки доступа:
Александров, Кирилл Сергеевич; Aleksandrov, K. S.; Voronov, V. N.; Воронов, Владимир, Николаевич; Vtyurin, A. N.; Втюрин, Александр Николаевич; Krylov, A. S.; Крылов, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Pavlovskiy, M. S.; Павловский, Максим Сергеевич; Goryainov, S. V.; Lihacheva, A. N.; Ancharov, A. I.; Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(9 ; 2008 ; May ; Vilnus, Lithuania)
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Химический синтез и электронная структура K3WO3F3 / М. С. Молокеев, В. В. Атучин [и др.] // Методы создания, исследования микро-, наносистем и экономические аспекты микро-, наноэлектроники : материалы III Всероссийской научно-технической конференции, г. Пенза, 26-29 мая, 2009 / "Методы создания, исследования микро-, наносистем и экономические аспекты микро-, наноэлектроники", Всероссийская научно-техническая конференция (3 ; 2009 ; май ; Пенза). - Пенза. - С. 99-101 . - ISBN 978-5-94170-385-2

Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Молокеев, Максим Сергеевич; Molokeev, M. S.; Атучин, В. В.; Кеслер, В. Г.; Александров, Кирилл Сергеевич; Aleksandrov, K. S.; "Методы создания, исследования микро-, наносистем и экономические аспекты микро-, наноэлектроники", Всероссийская научно-техническая конференция(3 ; 2009 ; май ; Пенза)
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Низкотемпературный химический синтез, морфология и электронная структура микрокристаллов K3WO3F3 / В. В. Атучин, Т. А. Гаврилова [и др.] // Минералогическая интервенция в микро- и наномир = Mineralogicalintervention in micro-and nanoworld : материалы Международного минералогического семинара, Сыктывкар, Республика Коми, Россия, 9-11 июня 2009 г. - С. 427-428 . - ISBN 978-5-98491-035-4

Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Атучин, В. В. ; Гаврилова, Т. А.; Кеслер, В. Г. ; Молокеев, Максим Сергеевич; Molokeev, M. S.; Александров, Кирилл Сергеевич; Aleksandrov, K. S.; Интитут геологии УрО РАН; Минералогическая интервенция в микро- и наномир(2009 ; июнь ; Сывтывкар); Российское минералогическое общество
}
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    Two-dimensional hybrid perovskite with high-sensitivity optical thermometry sensors / M. Guan, J. Hao, L. Qiu [et al.] // Inorg. Chem. - 2024. - Vol. 63, Is. 8. - P. 3835-3842, DOI 10.1021/acs.inorgchem.3c04140. - Cited References: 37. - This work was supported by the National Natural Science Foundation of China (Grant Nos. 52072349, 52172162, 12374386, and 11974022). Z.D. acknowledges support from the Fundamental Research Funds for the Central Universities, China University of Geosciences (Wuhan) (No.162301202610), the Natural Science Foundation of Guangdong Province (2022A1515012145), and Shenzhen Science and Technology Program(JCYJ20220530162403007). G.L. acknowledges support from the Natural Science Foundation of Zhejiang Province (LR22E020004). M.M. acknowledges the support from the Ministry of Science and High Education of Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 0020-1669. - ISSN 1520-510X
   Перевод заглавия: Двумерный гибридный перовскит с высокочувствительными датчиками оптической термометрии
Аннотация: Optical thermometry has gained significant attention due to its remarkable sensitivity and noninvasive, rapid response to temperature changes. However, achieving both high absolute and relative temperature sensitivity in two-dimensional perovskites presents a substantial challenge. Here, we propose a novel approach to address this issue by designing and synthesizing a new narrow-band blue light-emitting two-dimensional perovskite named (C8H12NO2)2PbBr4 using a straightforward solution-based method. Under excitation of near-ultraviolet light, (C8H12NO2)2PbBr4 shows an ultranarrow emission band with the full width at half-maximum (FWHM) of only 19 nm. Furthermore, its luminescence property can be efficiently tuned by incorporating energy transfer from host excitons to Mn2+. This energy transfer leads to dual emission, encompassing both blue and orange emissions, with an impressive energy transfer efficiency of 38.3%. Additionally, we investigated the temperature-dependent fluorescence intensity ratio between blue emission of (C8H12NO2)2PbBr4 and orange emission of Mn2+. Remarkably, (C8H12NO2)2PbBr4:Mn2+ exhibited maximum absolute sensitivity and relative sensitivity values of 0.055 K–1 and 3.207% K–1, respectively, within the temperature range of 80–360 K. This work highlights the potential of (C8H12NO2)2PbBr4:Mn2+ as a promising candidate for optical thermometry sensor application. Moreover, our findings provide valuable insights into the design of narrow-band blue light-emitting perovskites, enabling the achievement of single-component dual emission in optical thermometry sensors.

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Держатели документа:
Anhui Key Laboratory of Optoelectric Materials Science and Technology, Key Laboratory of Functional Molecular Solids, Ministry of Education Anhui Normal University, Wuhu 241000, China
Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430074, China
Shenzhen Research Institute China University of Geosciences, Shenzhen 518063, China
Zhejiang Institute China University of Geosciences, Hangzhou 311305, China
Department of Materials and Chemical Engineering, Taiyuan University, Taiyuan 030032, China
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Guan, M.; Hao, J.; Qiu, L.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ning, L.; Dai, Zh.; Li, G.
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    Highly efficient and thermostable far-red phosphor for promoting root growth in plants / Sh. Ouyang, J. Yin, L. Su [et al.] // J. Mater. Chem. C. - 2024. - Vol. 12, Is. 9. - P. 3272-3279, DOI 10.1039/D3TC02823B. - Cited References: 59. - The authors would like to gratefully acknowledge funds from the National Natural Science Foundation of China (Grant No. 51974123), the Key R&D Projects in Hunan Province (2021SK2047, 2022NK2044), the Natural Science Foundation of Hunan Province, China (Grant No. 2021JJ40261), the Wangcheng Science and Technology Plan (KJ221017), the Science and Technology Innovation Program of Hunan Province (2022WZ1022) and Superior Youth Project of the Science Research Project of Hunan Provincial Department of Education, (22B0211) and the Russian Federation as part of World-class Research Center Program: "Advanced Digital Technologies", contract no. 075-15-2020-935 . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Высокоэффективный и термостабильный инфракрасный люминофор для стимулирования роста корней растений
Аннотация: Phytochrome PFR plays a key role in plant photomorphogenesis, and its perception of far-red light is essential, but how to obtain an efficient far-red phosphor to achieve accurate light filling remains a huge challenge. In this study, Gd1−y−zAl3−x(BO3)4:xCr3+,yLu3+,zSm3+ (GAB:xCr3+,yLu3+,zSm3+) series phosphors were synthesized by a high-temperature solid-state method. By doping Lu3+, the emission intensity of Cr3+ could increase as high as 20%. With the introduction of Sm3+, the emission intensity of Cr3+ was further increased by 29%. Particularly, the emission spectra can be tuned by varying the concentration ratio of Sm3+ and Cr3+, more suitable for the absorption spectrum of PFR. Moreover, the internal quantum yield and external quantum yield of GL0.1AB:0.03Cr3+ and GL0.1AB:0.03Cr3+,0.003Sm3+ were 83.1% and 24.7% and 78.1% and 26.3%, respectively. There were high anti-thermal quenching properties in the prepared phosphors at 423 K, with 107.6% (GAB:0.03Cr3+), 103.1% (GL0.1AB:0.03Cr3+), and 102.7% (GL0.1AB:0.003Sm3+,0.03Cr3+). Finally, the phosphors were made into pc-LED devices, which can realize the adjustable orange-red and far-red luminescence and meet the needs of plant lighting applications. In the light-regulated plant growth experiment, compared with the control group, far-red light promoted root growth in plants, confirming the application potential of the prepared phosphors in indoor plant cultivation.

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Держатели документа:
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, P. R. China
Hunan Rare Earth Metal Material Research Institute Co. Ltd, No. 108 Longyuan 2nd Road, Longping High-tech Park, Changsha, Hunan, P. R. China
Hunan Optical Agriculture Engineering Technology Research Center, Changsha 410128, P. R. China
College of Agronomy, Hunan Agricultural University, Changsha 410128, P. R. China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
World-Class Research Center “Advanced Dicita Technoloaies” University of Tvumen, Russia

Доп.точки доступа:
Ouyang, Sh.; Yin, J.; Su, L.; Yao, M.; Wang, G.; Yang, J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, Zh.; Zhang, S.; Xia, M.
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Realizing persistent zero area compressibility over a wide pressure range in Cu2GeO4 by microscopic orthogonal-braiding strategy / X. Zhang, Yo. Liu, M. S. Molokeev [et al.] // Angew. Chem. - 2024. - Vol. 136, Is. 7. - Ст. e202318401, DOI 10.1002/ange.202318401. - Cited References: 24. - The authors would like to acknowledge Zhuohong Yin for useful discussions and experimental time for the 4W2 beamline in the Beijing synchrotron radiation facility (BSRF). This work was supported by the National Scientific Foundations of China (Grants T2222017, 12274425, 22133004, 11974360 and 51890864) and the CAS Project for Young Scientists in Basic Research (YSBR-024). M.S. Molokeev would like to acknowledge support fromthe Ministry of Science and High Education of the Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 0044-8249. - ISSN 1521-3757
Кл.слова (ненормированные):
Zero area compressibility -- Orthogonal-Braiding -- High pressure -- Copper-based oxides -- First-principles calculation
Аннотация: Zero area compressibility (ZAC) is an extremely rare mechanical response that exhibits an invariant two-dimensional size under hydrostatic pressure. All known ZAC materials are constructed from units in two dimensions as a whole. Here, we propose another strategy to obtain the ZAC by microscopically orthogonal-braiding one-dimensional zero compressibility strips. Accordingly, ZAC is identified in a copper-based compound with a planar [CuO4] unit, Cu2GeO4, that possesses an area compressibility as low as 1.58(26) TPa-1 over a wide pressure range from ≈0 GPa to 21.22 GPa. Based on our structural analysis, the subtle counterbalance between the shrinkage of [CuO4] and the expansion effect from the increase in the [CuO4]-[CuO4] dihedral angle attributes to the ZAC response. High-pressure Raman spectroscopy, in combination with first-principles calculations, shows that the electron transfer from in-plane bonding dx2-y2 to out-of-plane nonbonding dz2 orbitals within copper atoms causes the counterintuitive extension of the [CuO4]-[CuO4] dihedral angle under pressure. Our study provides an understanding on the pressure-induced structural evolution of copper-based oxides at an electronic level and facilitates a new avenue for the exploration of high-dimensional anomalous mechanical materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
University of the Chinese Academy of Sciences, Beijing 100049, China
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Zhang, Xingyu; Liu, Youquan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xu, Bohui; Jiang, Xingxing; Lin, Zheshuai
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Effect of cobalt concentration on the magnetic properties of the Co1–xMgxFe2O4 nanocrystals / O. S. Ivanova, I. S. Edelman, S. G. Ovchinnikov [et al.] // JETP Lett. - 2024. - Vol. 119, Is. 2. - P. 104-110, DOI 10.1134/S0021364023603457. - Cited References: 26. - The research was carried out at the expense of the Russian Science Foundation Grant # 23-22-10025, https://rscf.ru/project/23-22-10025/, Krasnoyarsk Regional Science Foundation . - ISSN 0021-3640. - ISSN 1090-6487
Аннотация: Nanoparticles of Co1–xMgxFe2O4 with x equal to 0, 0.2, 0.4, 0.6, 0.8 and 1.0 have been synthesized. For all values of x, they are nanocrystals with a cobalt ferrite structure and an average linear size (56 ± 3) nm. Based on the analysis of the Mossbauer effect spectra, the Co2+ ions were shown to occupy only octahedral positions at all values of x. The experimentally obtained dependence of the nanoparticles magnetization on x corresponds to the dependence calculated using the Mossbauer effect data, except for the sample with x = 1.0. The effective magnetic anisotropy constant estimated for 0 K from the analysis of the coercive force temperature dependences decreases from 5.27 × 106 at x = 0 to 1.29 × 106 erg/cm3 at x = 0.8 and drops sharply to 4 × 104 erg/cm3 at x = 1.0

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Публикация на русском языке Влияние концентрации кобальта на магнитные свойства нанокристаллов семейства Co1–xMgxFe2O4 [Текст] / О. С. Иванова, И. С. Эдельман, С. Г. Овчинников [и др.]. - 7 с. // Письма в ЖЭТФ. - 2024. - Т. 119 Вып. 2. - С. 111-117

Держатели документа:
Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, 660036, Krasnoyarsk, Russia
Siberian Federal University, 660041, Krasnoyarsk, Russia
Amity University Haryana, 122413, Gurugram, Haryana, India

Доп.точки доступа:
Ivanova, O. S.; Иванова, Оксана Станиславовна; Edelman, I. S.; Эдельман, Ирина Самсоновна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Thakur, A.; Thakur, P.; Sukhachev, A. L.; Сухачев, Александр Леонидович; Knyazev, Yu. V.; Князев, Юрий Владимирович; Ivantsov, R. D.; Иванцов, Руслан Дмитриевич; Molokeev, M. S.; Молокеев, Максим Сергеевич
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Highly-efficiency far-red emission in Cr3+ activated Ca1.8Mg1.2Al2Ge3O12 toward plant precise lighting / Ch. Yang, D. Zheng, X. Zou [et al.] // Adv. Opt. Mater. - 2024. - Vol. 12, Is. 17. - Ст. 2303235, DOI 10.1002/adom.202303235. - Cited References: 48. - The work was supported by the National Natural Science Foundations of China (No. 12274144), the Guangdong Provincial Special Fund for Modern Agriculture Industry Technology Innovation Teams (No. 2023KJ122), the Key Realm R&D Program of Guangdong Province (No. 2021B0707010003), the Guangdong Provincial Science and Technology Project (No. 2022A1515010229), and the Project of GDUPS (2018) for Prof. Bingfu LEI . - ISSN 2195-1071
Кл.слова (ненормированные):
cationic substitution -- Cr3+-doped phosphor -- far-red emission -- plant lighting
Аннотация: Far-red (FR) region (beyond 700 nm) lighting sources possess special potential for plant lighting. However, it remains a challenge to obtain high-performance Cr3+-doped FR phosphors. This study developed a FR phosphor, Ca1.8Mg1.2Al2Ge3O12:Cr3+ (CMAGG: Cr3+), using the cation substitution strategy. Under 438 nm blue light excitation, the phosphors display FR emission centered at 720 nm with a full width at half maximum (FWHM) of 91 nm. Benefit from the favorable match with the FR phytochrome (Pfr), the phosphor is combined with InGaN blue light chips to create a FR phosphor-converted light-emitting diode (pc-LED), which is used in Italian lettuce growth experiments and it results shown in a 15% increase in fresh weight and a 6.5% increase in dry weight. Notably, supplemental FR light modulated its growth morphology. The results of this study will be useful for further research on novel Cr3+-doped FR phosphors to meet the precise spectral requirements for plant growth.

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Держатели документа:
Key Laboratory for Biobased Materials and Energy of Ministry of Education College of Materials and Energy, South China Agricultural University Guangzhou, Guangdong 510642, P. R. China
SBRAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
Maoming Branch Guangdong Laboratory for Lingnan Modern Agriculture Maoming, Guangdong 525100, P. R. China

Доп.точки доступа:
Yang, Ch.; Zheng, D.; Zou, X.; Dai, X.; Tang, B.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, X.; Zhang, H.; Liu, Y.; Lei, B.
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    Revolutionizing physics: a comprehensive survey of machine learning applications / R. Suresh, H. Bishnoi, A. V. Kuklin [et al.] // Front. Phys. - 2024. - Vol. 12. - Ст. 1322162, DOI 10.3389/fphy.2024.1322162. - Cited References: 303. - RS acknowledges the support of the Russian Science Foundation (Project 22-73-10047). MM acknowledges the support by the Tyumen Oblast Government, as part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3) . - ISSN 2296-424X
   Перевод заглавия: Революция в физике: комплексный обзор приложений машинного обучения
Кл.слова (ненормированные):
physics -- machine learning -- neural network -- deep learning -- artificail intelligence (AI)
Аннотация: In the context of the 21st century and the fourth industrial revolution, the substantial proliferation of data has established it as a valuable resource, fostering enhanced computational capabilities across scientific disciplines, including physics. The integration of Machine Learning stands as a prominent solution to unravel the intricacies inherent to scientific data. While diverse machine learning algorithms find utility in various branches of physics, there exists a need for a systematic framework for the application of Machine Learning to the field. This review offers a comprehensive exploration of the fundamental principles and algorithms of Machine Learning, with a focus on their implementation within distinct domains of physics. The review delves into the contemporary trends of Machine Learning application in condensed matter physics, biophysics, astrophysics, material science, and addresses emerging challenges. The potential for Machine Learning to revolutionize the comprehension of intricate physical phenomena is underscored. Nevertheless, persisting challenges in the form of more efficient and precise algorithm development are acknowledged within this review.

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Держатели документа:
International Research Center of Spectroscopy and Quantum Chemistry-IRC SQC, Siberian Federal University, Krasnoyarsk, Russia
Department of Computer Science and Engineering, Bharati Vidyapeeth’s College of Engineering, New Delhi, India
Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden
Department of Information Technology, Vishwakarma Institute of Information Technology, Pune, India
Laboratory of Theory and Optimization of Chemical and Technological Processes, University of Tyumen, Tyumen, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
Department of Computational Intelligence, SRM Institute of Science and Technology, Kattankulathur, India
Centre for Machine Intelligence and Data Science, Indian Institute of Technology Bombay, Mumbai, India
Department of Physics, Pondicherry University, Puducherry, India

Доп.точки доступа:
Suresh, R.; Bishnoi, H.; Kuklin, A. V.; Parikh, A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Harinarayanan, R.; Gharat, S.; Hiba, P.
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10.

Solid solution structural engineering enhances the luminescence of SrMgAl10O17:Cr3+ for agricultural lighting / Y. Ma, W. Liao, B. Quan [et al.] // J. Lumin. - 2024. - Vol. 270. - Ст. 120553, DOI 10.1016/j.jlumin.2024.120553. - Cited References: 46. - The authors would like to gratefully acknowledge funds from the Key R & D Projects in Hunan Province (2021SK2047, 2022NK2044), the Wangcheng Science and Technology Plan (KJ221017), the Science and Technology Innovation Program of Hunan Province (2022WZ1022). The work was supported by the Ministry of Science and Higher Education of the Russian Federation as part of the World-class Research Center program: ‘‘Advanced Digital Technologies’’, contract no. 075-15-2020-935. Research Foundation of Education Bureau of Hunan Province, China (22B0211) . - ISSN 0022-2313. - ISSN 1872-7883
Кл.слова (ненормированные):
Optical material -- Indoor plant cultivation -- Far-red light -- SrMgAlO
Аннотация: Lead-free non-rare earth oxide phosphors have attracted wide attention due to their environmental protection, sustainability, and potential to replace halides and fluorides in the field of plant lighting. Among them, the Cr3+-excited aluminate phosphor exhibits high brightness, high thermal stability, and far red to near-infrared (NIR) emission due to the influence of the crystal field strength (CFS). This property gives rise to a variety of strategies used to modulate the CFS, for example, single ion substitution, chemical unit co-substitution, etc. Here, we chose the substitution of a single ion, with [BaO6] gradually replacing [SrO6] to form a solid solution. Their structural characteristics and the local structure of Cr3+ are studied and discussed. The device is packaged to evaluate the feasibility of the material for practical application. The prepared phosphor had a bright far-red light emission of 693 nm under blue light excitation, and this spectrum strongly matched the absorption of plant phytochrome PFR. This work provides the design principle of far red light emission activated by Cr3+ aluminate solid solution, which can inspire further research on pc-LED lights for plant lighting.

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Держатели документа:
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, PR China
Hunan Optical Agriculture Engineering Technology Research Center, Changsha 410128, PR China
World-Class Research Center “Advanced Digital Technologies”, University of Tyumen, Tyumen 625003, Russia
Dongguan Ledstar Optoelectronics Technology Co., Ltd, Dongguan, 523000, PR China

Доп.точки доступа:
Ma, Y.; Liao, W.; Quan, B.; Kong, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zolotov, A.; Cheng, M.; Chen, X.; Zhou, Zh.; Xia, M.
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11.

    Synthesis and properties of the NdSF compound, phase diagram of the NdF3–Nd2S3 system / V. M. Grigorchenko, M. S. Molokeev, A. S. Oreshonkov [et al.] // J. Solid State Chem. - 2024. - Vol. 333. - Ст. 124640, DOI 10.1016/j.jssc.2024.124640. - Cited References: 48. - This research was funded by the Tyumen Oblast Government as part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3). - The studies ab initio simulation of electron band structure, analysis of optical properties, XRD analysis was partially supported by "Priority-2030" program for the Siberian Federal University, and the state assignment of Kirensky Institute of Physics . - ISSN 0022-4596. - ISSN 1095-726X
   Перевод заглавия: Синтез и свойства соединения NdSF, фазовая диаграмма системы NdF3–Nd2S3
Кл.слова (ненормированные):
Neodymium fluorosulfide -- Phase diagram -- Optical band gap -- Microhardness
Аннотация: The NdF3–Nd2S3 system attracts attention of researchers due to the possibility of using LnSF compounds (Ln = rare earth element) as possible new p- and n-type materials. The samples of this system were synthesized from NdF3 and Nd2S3. The NdSF compound belongs to the PbFCl structural type, P4/nmm space group, unit cell parameters: a = 3.9331(20) Å, c = 6.9081(38) Å. The experimentally determined direct and indirect NdSF bandgaps are equal to 2.68 eV and 2.24 eV. The electronic band structure was calculated via DFT simulation. The NdSF compound melts congruently at T = 1385 ± 10°С, ΔНm = 40.5 ± 10 kJ/mol, ΔS = 24.4 ± 10 J/mol. The NdSF microhardness is 455 ± 10 HV. Five phase transformations in the NdF3–Nd2S3 system were recorded by DSC; their balance equations were derived. The liquidus of the system calculated from the Redlich–Kister equation is fully consistent with the DSC data.

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Держатели документа:
Tyumen State University, Tyumen, Volodarsky str. 6, 625003, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Akademgorodok str. 50, Building 38, 660036, Russia
Siberian Federal University, Krasnoyarsk, Svobodnyj av. 79, 660079, Russia
Department of Physical and Applied Chemistry, Kurgan State University, Sovetskaya str. 63/4, Kurgan, 640020, Russia
Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Pervomaiskaya str. 91, 620990, Russia
Saint-Petersburg State University, 7/9 Universitetskaya Emb., 199034, St. Petersburg, Russia

Доп.точки доступа:
Grigorchenko, V.M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Kertman, A.V.; Abulkhaev, M.U.; Mereshchenko, A.S.; Yurev, I.O.; Shulaev, N.А.; Kamaev, D.N.; Elyshev, A.V.; Andreev, O.V.
}
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12.

Zero-thermal-quenching broadband yellow-emitting Bi3+-activated phosphors based on metal to metal charge transfer / K. Chen, P. Gao, Z. Zhang [et al.] // J. Alloys Compd. - 2024. - Vol. 986. - Ст. 174112, DOI 10.1016/j.jallcom.2024.174112. - Cited References: 52. - The authors would like to gratefully acknowledge funds from the National Natural Science Foundation of China (Grant No. 51974123), the Key R & D Projects in Hunan Province (2021SK2047 and 2022NK2044), the Wangcheng Science and Technology Plan (KJ221017) and the Science and Technology Innovation Program of Hunan Province (2022WZ1022). The work was supported by the Ministry of Science and Higher Education of the Russian Federation as part of World-class Research Center program: "Advanced Digital Technologies", contract no. 075-15-2020-935. Superior Youth Project of the Science Research Project of Hunan Provincial Department of Education (22B0211) . - ISSN 0925-8388. - ISSN 1873-4669
Кл.слова (ненормированные):
Bi3+-activated phosphors -- Yellow-emitting -- MMCT -- Zero-thermal-quenching -- WLED
Аннотация: Bi3+-activated phosphors have been proven to have potential applications foreground in white light-emitting diodes (WLED), plant growth lamps and temperature sensing. Therefore, it is urgent to exploit high-efficiency Bi3+-activated phosphors. Herein, a novel broadband yellow-emitting phosphor Ba2GdGaO5:Bi3+ with high internal quantum efficiency (IQE = 77%) was obtained based on metal to metal charge transfer (MMCT) between Bi3+ ground state and Gd3+ excited states. The photoluminescence excitation (PLE) spectrum and photoluminescence (PL) spectrum range from 225 nm to 400 nm and 400 nm to 700 nm, respectively, which can avoid the reabsorption phenomenon efficiently. Besides, Ba2GdGaO5:Bi3+ has superior thermal stability and it shows zero-thermal-quenching at 150 °C. The K+ doping hardly changes the thermal stability and can improve the PL intensity to 133.1% when the K+ concentration is 2%. Finally, a phosphor-convert WLED (pc-WLED) was simply synthesized by Ba2GdGaO5:Bi3+ and BaMgAl10O17:Eu2+ (BAM:Eu2+) phosphors. The doping of Eu3+ can significantly enhance the color rendering index (CRI, from 88.1 to 91.5) and reduce the correlated color temperature (CCT, from 4911 K to 4014 K). The above experimental results demonstrated that the phosphor has great application prospect in WLED.

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Держатели документа:
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, PR China
Hunan Optical Agriculture Engineering Technology Research Center, Changsha, 410128, PR China
World-Class Research Center “Advanced Digital Technologies”, University of Tyumen, Tyumen 625003, Russia

Доп.точки доступа:
Chen, K.; Gao, P.; Zhang, Z.; Ma, Y.; Luo, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, Zh.; Xia, M.
}
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13.

Влияние концентрации кобальта на магнитные свойства нанокристаллов семейства Co1–xMgxFe2O4 / О. С. Иванова, И. С. Эдельман, С. Г. Овчинников [и др.] // Письма в ЖЭТФ. - 2024. - Т. 119, Вып. 2. - С. 111-117, DOI 10.31857/S123456782402006X. - Библиогр.: 26. - Исследование выполнено за счет средств гранта Российского научного фонда #23-22-10025, https://rscf.ru/project/23-22-10025/, Красноярского краевого фонда науки . - ISSN 0370-274X
Аннотация: Синтезированы наночастицы Co1−xMgxFe2O4 с x, равным 0, 0.2, 0.4, 0.6, 0.8 и 1.0. При всех значениях x они являются нанокристаллами со структурой феррита кобальта и средним линейным размером (56±3) нм. На основе анализа спектров эффекта Мессбауэра установлено, что ионы Co2+ занимают только октаэдрические позиции при всех значениях x. Полученная экспериментально зависимость намагниченности наночастиц от x соответствует зависимости, рассчитанной с помощью эффекта Мессбауэра, кроме образца с x = 1.0. Эффективная константа кристаллической магнитной анизотропии, оцененная для 0K из анализа температурных зависимостей коэрцитивной силы, уменьшается от 5.27 × 106 при x = 0 до 1.29 × 106 эрг/см3, при x = 0.8 несколько быстрее, чем по линейному закону, и резко падает до 4 × 104 эрг/см3 при x = 1.0.

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Переводная версия Effect of cobalt concentration on the magnetic properties of the Co1–xMgxFe2O4 nanocrystals [Текст] / O. S. Ivanova, I. S. Edelman, S. G. Ovchinnikov [et al.]. - 7 с. // JETP Lett. - 2024. - Vol. 119 Is. 2.- P.104-110

Держатели документа:
Институт физики им. Л. В. Киренского Сибирского отделения РАН - обособленное подразделение Федерального исследовательского центра "Красноярский научный центр Сибирского отделения Российской академии наук", 660036 Красноярск, Россия
Сибирский федеральный университет, 660041 Красноярск, Россия
Amity University Haryana, Gurugram, 122413 Haryana, India

Доп.точки доступа:
Иванова, Оксана Станиславовна; Ivanova, O. S.; Эдельман, Ирина Самсоновна; Edelman, I. S.; Овчинников, Сергей Геннадьевич; Ovchinnikov, S. G.; Тхакур, А.; Тхакур, П.; Сухачев, Александр Леонидович; Sukhachev, A. L.; Князев, Юрий Владимирович; Knyazev, Yu. V.; Иванцов, Руслан Дмитриевич; Ivantsov, R. D.; Молокеев, Максим Сергеевич; Molokeev, M. S.
}
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14.

    Elucidating elusive quaternary selenide EuCeCuSe3: Synthesis, crystal structure, properties and theoretical studies / M. V. Grigoriev, A. V. Ruseikina, M. S. Molokeev [et al.] // J. Rare Earths. - 2024. - Vol. 42, Is. 1. - P. 163-171, DOI 10.1016/j.jre.2022.11.004. - Cited References: 47 . - ISSN 1002-0721. - ISSN 2509-4963
   Перевод заглавия: Расшифровка труднодоступного четвертичного селенида EuCeCuSe3: синтез, кристаллическая структура, свойства и теоретические исследования
Кл.слова (ненормированные):
Quaternary selenide -- Synthesis -- Crystal structure -- Ab initio calculations -- Magnetic measurements -- Spectroscopy
Аннотация: We report on the novel heterometallic quaternary selenide EuCeCuSe3, the fabrication of which has been a challenge until this work. The structure of the reported selenide was elucidated from the powder X-ray diffraction data, which revealed the formation of EuCeCuSe3 with excellent yield (96.7%) accompanied with a minor fraction of CeSe2 (3.3%), and was best solved in orthorhombic space group Pnma with the BaLaCuS3 structural type. Thus, the crystal structure of the title compound completes the row of the heterometallic quaternary selenides EuRECuSe3 (RE = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y), of which the cerium-based derivative exclusively belongs to the BaLaCuS3 structural type. The distortion of the CuSe4 polyhedron was compared for the whole series of EuRECuSe3 compounds using the τ4-descriptor for four coordinated ions, which revealed the highest degree of distortion for the Ce3+-containing selenide, followed by the La3+-based derivative. Furthermore, the crystallographic and geometrical parameters of the reported selenide were discussed in comparison to the Ce3+-based sulfides SrCeCuS3 and EuCeCuS3. Ab initio calculations of the crystal structure, a phonon spectrum and elastic constants for the crystal of EuСeCuSe3 were also performed. The types and wavenumbers of fundamental modes were determined and the involvement of ions participating in the phonon modes was assessed. The experimental IR spectrum of the reported selenide was interpreted and found to be in agreement with the calculated spectrum. The experimental direct band gap of EuCeCuSe3 was measured to be 1.36 eV that is consistent with the concept of its origin due to interband transitions between orbitals emerging mainly from 4f (valence band) and 5d (conduction band) levels of the Eu2+ cation. The dependence of the Young's modulus on the direction demonstrates the anisotropy of the elastic properties, while the Vickers hardness for EuCeCuSe3 was calculated to be 5.2 GPa. Finally, the title compound is paramagnetic above 4 K.

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Держатели документа:
Laboratory of Theory and Optimization of Chemical and Technological Processes, University of Tyumen, Volodarskogo Str. 6, 625003, Tyumen, Russian Federation
Research and Development Department, Kemerovo State University, Krasnaya Str. 6, 650000, Kemerovo, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50 Bld. 38, 660036, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Serysheva Str. 47, 680021, Krasnoyarsk, Russian Federation
Institute of Natural Sciences and Mathematics, Ural Federal University Named After the First President of Russia B.N. Yeltsin, Mira Str. 19, 620002, Ekaterinburg, Russian Federation
Department of Photonics and Laser Technology, Siberian Federal University, Svobodnii Ave. 79, 660079, Krasnoyarsk, Russian Federation
Institute of Physics and Technology, University of Tyumen, Volodarskogo Str. 6, 625003 Tyumen, Russian Federation
Institute for Inorganic Chemistry, University of Stuttgart, Pfaffenwaldring 55, D-70569, Stuttgart, Germany
Advanced Materials for Industry and Biomedicine Laboratory, Kurgan State University, Sovetskaya Str. 63/4, 640020, Kurgan, Russian Federation
Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University Named After the First President of Russia B.N. Yeltsin, Mira Str. 19, 620002, Ekaterinburg, Russian Federation
University of Tyumen, Volodarskogo Str. 6, 625003, Tyumen, Russian Federation

Доп.точки доступа:
Grigoriev, Maxim V.; Ruseikina, Anna V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Chernyshev, Vladimir А.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Shestakov, N. P.; Шестаков, Николай Петрович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Garmonov, Alexander A.; Matigorov, Alexey V.; Ostapchuk, Evgeny A.; Schleid, Thomas; Safin, Damir A.
}
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15.

    Раствор-расплавный синтез Mn-содержащих оксиборатов со структурами людвигита и гаудефройита / Е. М. Мошкина, М. С. Молокеев, Е. В. Еремин, Кох Д. // Новое в магнетизме и магнитных материалах : сборник трудов XXV международной конференции / прогр. ком.: Р. С. Исхаков, С. Г. Овчинников [и др.]. - 2024. - Секция 1 [Сборник 1] : Новые магнитные и родственные им материалы: синтез и физические свойства. Преподавание по разделам «Магнетизм» и «Магнитные материалы» в высшей школе. - С. 181-184. - Библиогр.: 7. - РФН № 22-12-20019, Красноярский краевой фонд науки . - ISBN 978-5-4465-1869-2
   Перевод заглавия: Flux synthesis of Mn-contained oxyborates with ludwigite and gaudefroyite structure
Аннотация: Исследуются особенности синтеза Mn-содержащих оксиборатов со структурами людвигита и гаудефройита из многокомпонентных растворов-расплавов на основе Bi2O3-MoO3-B2O3, разбавленных Na2CO3. Анализируются закономерности фазообразования и механизмы изменения валентности катионов марганца в зависимости от состава растворителя. Представлена структурная и магнитная характеризация полученных соединений.

Материалы конференции
Держатели документа:
Институт физики им. Л.В. Киренского Сибирского отделения Российской академии наук - обособленное подразделение ФИЦ КНЦ СО РАН
Федеральный исследовательский центр КНЦ СО РАН

Доп.точки доступа:
Исхаков, Рауф Садыкович \прогр. ком.\; Iskhakov, R. S.; Овчинников, Сергей Геннадьевич \прогр. ком.\; Ovchinnikov, S. G.; Мошкина, Евгения Михайловна; Moshkina, E. M.; Молокеев, Максим Сергеевич; Molokeev, M. S.; Еремин, Евгений Владимирович; Eremin, E. V.; Кох Д.; "Новое в магнетизме и магнитных материалах", международная конференция(25 ; 2024 ; 1-6 июля ; Москва); Научный совет по физике конденсированных сред РАН; МИРЭА - Российский технологический университет; Московский государственный университет им. М.В. Ломоносова; Магнитное общество России
}
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16.

Тихомиров, А. А.
Использование облучателей с люминофорными светодиодами с регулируемым спектром излучения для выращивания томатов на рассаду и продукцию в условиях светокультуры / А. А. Тихомиров, М. С. Молокеев, В. В. Величко // Светотехника. - 2024. - № 3. - С. 4-9. - Библиогр.: 13. - Работа выполнена при финансовой поддержке в рамках Госзадания FWES-2024-0039 Минобрнауки РФ и Программы стратегического академического лидерства «Приоритет-2030» для Сибирского федерального университета . - ISSN 0039-7067. - ISSN 2587-8662
Кл.слова (ненормированные):
спектрально эффективное излучение -- стационарный спектр -- нестационарный (переменный) спектр -- люминофорные светодиодные облучатели -- рассада томатов -- продуктивность томатов
Аннотация: Работа посвящена оценке возможностей использования вновь разработанных облучателей со светодиодами с удалённым люминофором и перестраиваемымспектром излучения в области ФАР для исследований по повышению эффективности спектральных режимов облучения томатов в целях формирования высококачественной рассады и повышения урожайности томатов за счёт возможности варьирования спектра излучения в области ФАР в период плодоношения растений в условиях полной светокультуры. Показано, что для формирования высококачественной рассады с хорошо развитым фотосинтетическим аппаратом и хорошо сформированным габитусом наиболее благоприятен спектр ФАР, характеризующийся долями "синей" (400-500 нм), "красной" (600-700 нм) и "зелёной" (500-600 нм) компонент в трёхкомпонентном потоке ФАР около 30, 30 и 40 % соответственно. При смене спектрального режима облучения в период массового плодоношения при выращивании томатов на продукцию с увеличением доли "красной" (600-700 нм) компоненты на 15 % в ущерб "зелёной" (500-600 нм) удалось на 20 сут ускорить массовое созревание плодов томатов и повысить показатели биохимического состава плодов (содержание углеводов и витамина С). Экспериментально показана целесообразность использования нового прототипа указанных облучателей с регулируемым спектром для выращивания длинно вегетирующих культур (на примере томатов) в режиме облучения со сменой спектра ФАР на определённых этапах вегетации. Полученные результаты применимы к выгонке рассады томатов для теплиц и выращиванию растений на продукцию в условиях полной светокультуры применительно к северным регионам и изолированным помещениям для выращивании растений в разных климатических зонах с использованием " City-farm " технологий.

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РИНЦ
Держатели документа:
Институт биофизики СО РАН ФИЦ "КНЦ СО РАН"
Институт физики им. Л.В. Киренского СО РАН ФИЦ "КНЦ СО РАН"

Доп.точки доступа:
Молокеев, Максим Сергеевич; Molokeev, M. S.; Величко, В. В.
}
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17.

Thermal expansion, T – x phase diagram and polarization of (1-x)Na1/2Bi1/2TiO3-xBaTiO3 solid solutions / M. V. Gorev, I. N. Flerov, M. S. Molokeev [et al.] // J. Eur. Ceram. Soc. - 2024. - Vol. 44, Is. 15. - Ст. 116769, DOI 10.1016/j.jeurceramsoc.2024.116769. - Cited References: 40 . - ISSN 0955-2219. - ISSN 1873-619X
Кл.слова (ненормированные):
Ferroelectrics -- NaBiTiO -- Thermal expansion -- Polarization -- Phase diagram
Аннотация: The paper presents the results of detailed studies of thermal expansion of solid solutions (1-x)Na1/2Bi1/2TiO3-xBaTiO3 with x=0.04-0.97 in the temperature range from 100 to 900 K. A change in chemical pressure associated with the complex cationic substitution, (Na1/2Bi1/2)2+ → Ba2+, result in a very rapid decrease in the temperatures of the transformation P4 mm → C2 mm → R3m below 100 K which are characteristic of BaTiO3. Significant features in the behavior of thermal expansion were observed near two triple points in the T – x phase diagram where the phases Pm3¯m, P4 mm, P4bm (x≈0.15-0.20) and P4bm, P4 mm, R3c (x≈0,06) coexist, allow the studied solid solutions to be divided into three groups. The relationship between the effects of internal chemical pressure and external hydrostatic one is discussed. By analyzing the thermodynamic potential, the root-mean-square polarization Pd is determined, which increases by about 16% with a decrease in the BT content from 0.97 to 0.4.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036, Krasnoyarsk, Russia
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, 660074, Krasnoyarsk, Russia
Institute of Solid State Physics, University of Latvia, Riga, LV-1063, Latvia

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bormanis, K.; Birks, E.; Sapozhnikov, S. V.; Mikhaleva, E. A.; Михалева, Екатерина Андреевна
}
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18.

Optical thermometer based on efficient near-infrared dual-emission of Cr3+ and Ni2+ in magnetoplumbite structure / Qianqian Zhang, Guogang Li, Guangzhi Li [et al.] // Adv. Optical Mater. - 2024. - Vol. 12, Is. 1. - Ст. 2301429, DOI 10.1002/adom.202301429. - Cited References: 22. - This work was financially supported by the National Science and Technology Major Project (2022YFB3503800), the Projects for Science and Technology Development Plan of Jilin Province (20210402046GH), the National Natural Science Foundation of China (NSFC No. 51932009, 51720105015, 51929201, 52072349, 52172166), the Natural Science Foundation of Zhejiang Province (LR22E020004), and the Project funded by China Postdoctoral Science Foundation (2022TQ0365). M.S. Molokeev acknowledges the support by the Ministry of Science and Higher Education of Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 2195-1071
Кл.слова (ненормированные):
energy transfers -- NIR dual emissions -- NIR-LED -- optical temperature sensing
Аннотация: Recently, an optical thermometer based on the dual-emitting fluorescent intensity ratio (FIR) in the visible light (VIS) region has achieved great development. However, there is very little progress in thermometers from NIR light. In this work, a novel optical thermometer based on highly efficient NIR dual-emission of Cr3+ and Ni2+ in LaZnGa11O19 (LZG) with a magnetoplumbite structure is designed. Utilizing energy transfer from Cr3+ to Ni2+, the dual-emission shows a wide coverage in the 650–1600 nm region, covering the NIR I and II windows, respectively. The as-reported LZG:0.3Cr3+ and LZG:0.3Cr3+,0.01Ni2+ phosphors can reach internal/external quantum efficiency (IQE/EQE) of 94%/64% and 77%/53%, respectively. The electroluminescence property and potential applications in spectroscopic analysis, night-vision, and bioimaging of fabricated NIR-LED with LZG:0.3Cr3+,0.01Ni2+ have also been investigated. In addition, the designed ratiometric optical thermometer responds to wide temperature ranges (100-175 K, 200–475 K) and shows a maximum relative sensitivity value (Sr) of 2.4% K−1 at 475 K. The optical performance of absorption in the red region and emission in the NIR region enables the LZG:0.3Cr3+,0.01Ni2+ to become a candidate for NIR optical thermometers in biotechnological applications.

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Держатели документа:
State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei2 30026, China
Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan4 30074, China
Zhejiang Institute, China University of Geosciences, Hangzhou 311305, China
College of Pharmacy, Jiamusi University, Jiamusi, Heilongjiang 154007, P. R. China
International Research Center of Spectroscopy and Quantum Chemistry—IRCSQC, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Zhang, Qianqian; Li, Guogang; Li, Guangzhi; Liu, Dongjie; Dang, Peipei; Qiu, Lei; Lian, Hongzhou; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lin, Jun
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19.

    Realizing persistent zero area compressibility over a wide pressure range in Cu2GeO4 by microscopic orthogonal-braiding strategy / X. Zhang, Yo. Liu, M. S. Molokeev [et al.] // Angew. Chem. Int. Ed. - 2024. - Vol. 63, Is. 7. - Ст. e202318401, DOI 10.1002/anie.202318401. - Cited References: 24. - The authors would like to acknowledge Zhuohong Yin for useful discussions and experimental time for the 4W2 beamline in the Beijing synchrotron radiation facility (BSRF). This work was supported by the National Scientific Foundations of China (Grants T2222017, 12274425, 22133004, 11974360 and 51890864) and the CAS Project for Young Scientists in Basic Research (YSBR-024). M.S. Molokeev would like to acknowledge support fromthe Ministry of Science and High Education of the Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 1433-7851. - ISSN 1521-3773
   Перевод заглавия: Реализация постоянной нулевой сжимаемости в широком диапазоне давлений в Cu2GeO4 с помощью микроскопической стратегии ортогонального плетения
Кл.слова (ненормированные):
Zero area compressibility -- Orthogonal-Braiding -- High pressure -- Copper-based oxides -- First-principles calculation
Аннотация: Zero area compressibility (ZAC) is an extremely rare mechanical response that exhibits an invariant two-dimensional size under hydrostatic pressure. All known ZAC materials are constructed from units in two dimensions as a whole. Here, we propose another strategy to obtain the ZAC by microscopically orthogonal-braiding one-dimensional zero compressibility strips. Accordingly, ZAC is identified in a copper-based compound with a planar [CuO4] unit, Cu2GeO4, that possesses an area compressibility as low as 1.58(26) TPa-1 over a wide pressure range from ~0 GPa to 21.22 GPa. Based on our structural analysis, the subtle counterbalance between the shrinkage of [CuO4] and the expansion effect from the increase in the [CuO4]-[CuO4] dihedral angle attributes to the ZAC response. High-pressure Raman spectroscopy, in combination with first-principles calculations, shows that the electron transfer from in-plane bonding dx2-y2 to out-of-plane nonbonding dz2 orbitals within copper atoms causes the counterintuitive extension of the [CuO4]-[CuO4] dihedral angle under pressure. Our study provides an understanding on the pressure-induced structural evolution of copper-based oxides at an electronic level and facilitates a new avenue for the exploration of high-dimensional anomalous mechanical materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
University of the Chinese Academy of Sciences, Beijing 100049, China
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Zhang, Xingyu; Liu, Youquan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xu, Bohui; Jiang, Xingxing; Lin, Zheshuai
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20.

Phase transitions, baro- and piezocaloric effects in single crystal and ceramics of ferroelectric NH4HSeO4 / V. S. Bondarev, E. A. Mikhaleva, M. V. Gorev [et al.] // Solid State Sci. - 2024. - Vol. 148. - Ст. 107440, DOI 10.1016/j.solidstatesciences.2024.107440. - Cited References: 45. - The study was supported by the grant of the Russian Science Foundation No. 23-22-10014, Krasnoyarsk Regional Science Foundation, https://rscf.ru/en/project/23-22-10014/ . - ISSN 1293-2558. - ISSN 1873-3085
Кл.слова (ненормированные):
Ferroelectrics -- Phase transition -- Thermal properties -- High pressure -- Caloric effects
Аннотация: A study of heat capacity, thermal dilatation and sensitivity to hydrostatic and uniaxial pressure was carried out on single-crystal and ceramic samples of NH4HSeO4. The main parameters of low-temperature successive phase transitions B2 (T1) ↔ incommensurate IC (T2) ↔ ferroelectric P1 (T3) ↔ non-ferroelectric did not depend on the type of samples. The behavior of the volumetric strain and the results of direct measurements of T3(p) contributed to the resolution of the longstanding problem associated with the ambiguity of the sign of the corresponding volumetric baric coefficient. The role of thermal expansion anisotropy in the formation of the piezocaloric effect (PCE) near the ferroelectric phase transition at T3 has been studied. Due to the strong difference in the linear baric coefficients, the main contribution to the barocaloric effect (BCE) comes from the inverse intensive and extensive PCE associated with the a-axis. Compared to a single crystal, ceramics demonstrate lower BCE values, which, however, exist in a wider temperature range, which leads to close values of integral caloric parameters. The strong decrease in both BCE and PCE at low-temperature transformations in NH4HSeO4 compared to the ferroelectrics NH4HSO4 and NH4NH4SO4 is associated with a small change in entropy during three low-temperature phase transitions, ΣΔSi = 2.52 J/mol∙K, which is a consequence of a high degree of structural ordering in selenate as a result of a high-temperature transformation at T0 between the superionic and B2 phases, accompanied by a giant change in entropy, ΔS0≈Rln21.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036, Krasnoyarsk, Russia
Siberian Federal University, 660074, Krasnoyarsk, Russia
Krasnoyarsk State Agrarian University, 660049, Krasnoyarsk, Russia

Доп.точки доступа:
Bondarev, V. S.; Бондарев, Виталий Сергеевич; Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Flerov, I. N.; Флёров, Игорь Николаевич
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