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    The mechanism of the area negative thermal expansion in KBe2BO3F2 family crystals: A first-principles study / X. Jiang [et al.] // J. Appl. Phys. - 2016. - Vol. 119, Is. 5. - Ст. 055901, DOI 10.1063/1.4941266. - Cited References: 56. - This work was supported by the National Scientific Foundations of China (Grant No. 11474292), the Special Foundation of the Director of Technical Institute of Physics and Chemistry (TIPC), and the Opening Project of the Key Laboratory of Cryogenics in TIPC, Chinese Academy of Sciences, China “863” Project (No. 2015AA034203) and “973” Project (No. 2014CB921301). . - ISSN 0021-8979
   Перевод заглавия: Механизм отрицательного теплового расширения площади в семействе кристаллов KBe2BO3F2: первопринципный расчет

РУБ Physics, Applied
Рубрики:
PSEUDOPOTENTIALSSTATE
   COMPRESSIBILITY
   TETRAHEDRA
   RANGE
   STATE
Аннотация: A very recent study demonstrated that the KBe2BO3F2 (KBBF) family of crystals, including KBBF, RbBe2BO3F2, and CsBe2BO3F2, are the only known borates exhibiting a rarely occurring isotropic area negative thermal expansion (NTE) behavior, over a very large temperature range. In the present work, the NTE mechanism in these crystals is comprehensively investigated using the first-principles calculations. It is revealed that the area NTE behavior mainly originates from the concerted distortion of [BeO3F] tetrahedra in the two-dimensional [Be2BO3F2] framework with respect to temperature, while the [BO3] triangles remain almost rigid. Moreover, the different magnitude of NTE effect in the three crystals is attributed to the interaction difference between the alkali metal atoms (K, Rb, or Cs) and the [Be2BO3F2] layer. © 2016 AIP Publishing LLC.

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Держатели документа:
Center for Crystal Research and Development, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, China
University of Chinese Academy of Sciences, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan, China
Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, China

Доп.точки доступа:
Jiang, X.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Li, W.; Wu, S.; Lin, Z.; Wu, Y.; Chen, C.
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FILONOV, A. N.
FINITE SUBSTRATE COMPRESSIBILITY EFFECT AT MONATOMIC FILM ADSORPTION / A. N. FILONOV // Fiz. Tverd. Tela. - 1983. - Vol. 25, Is. 8. - P. 2524-2526. - Cited References: 9 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

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    Zero linear compressibility in nondense borates with a "Lu-Ban stool"-like structure / X. X. Jiang [et al.] // Adv. Mater. - 2018. - Vol. 30, Is. 32. - Ст. 1801313, DOI 10.1002/adma.201801313. - Cited References: 28. - X.J., Y.Y., and M.M. contributed equally to this work. The authors acknowledge Zhuohong Yin for useful discussions. This work was supported by the National Scientific Foundations of China (Grant Nos. 11474292, 51702330, 11611530680, 91622118, and 91622124), Russian Foundation for Basic Research (Grant No. 17-52-53031), the Special Foundation of the Director of Technical Institute of Physics and Chemistry (TIPC), the China "863" project (No. 2015AA034203), key project of Beijing Synchrotron Radiation Facility and the Youth Innovation Promotion Association, CAS (outstanding member for Z.L. and Grant No. 2017035 for X.J.). . - ISSN 0935-9648. - ISSN 1521-4095
   Перевод заглавия: Нулевое тепловое расширение в неплотных боратах со структурой типа "стула Лю Бана"

РУБ Chemistry, Multidisciplinary + Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter
Рубрики:
MECHANICAL METAMATERIALS
   PRESSURE
   METABORATE
   STRENGTH
Кл.слова (ненормированные):
borates -- "Lu-Ban stool"-like structure -- ultraviolet transparency -- zero -- linear compressibility
Аннотация: Discovering materials that exhibit zero linear compressibility (ZLC) behavior under hydrostatic pressure is extremely difficult. To date, only a handful of ZLC materials have been found, and almost all of them are ultrahard materials with densified structures. Here, to explore ZLC in nondense materials, a structural model analogous to the structure of the “Lu‐Ban stool,” a product of traditional Chinese woodworking invented 2500 years ago, is proposed. The application of this model to borates leads to the discovery of ZLC in AEB2O4 (AE = Ca and Sr) with the unique “Lu‐Ban stool”‐like structure, which can obtain a subtle mechanical balance between pressure‐induced expansion and contraction effects. Coupled with the very wide ultraviolet transparent windows, the ZLC behavior of AEB2O4 may result in some unique but important applications. The applications of the “Lu‐Ban stool” model open a new route for pursuing ZLC materials in nondense structural systems.

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Держатели документа:
Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China.
Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
Fed Res Ctr 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.
Chinese Acad Sci, Fujian Inst Res Struct Matter, Fuzhou 350002, Fujian, Peoples R China.
Univ Bonn, Mulliken Ctr Theoret Chem, Inst Phys & Theoret Chem, D-53115 Bonn, Germany.
China Univ Geosci, State Key Lab Geol Proc & Mineral Resources, Wuhan 430074, Peoples R China.
Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China.
Huazhong Univ Sci & Technol, Sch Phys, Wuhan 430074, Peoples R China.
Huazhong Univ Sci & Technol, Wuhan Natl High Magnet Field Ctr, Wuhan 430074, Peoples R China.
Tianjin Univ Technol, Inst Funct Crystals, Tianjin 300384, Peoples R China.

Доп.точки доступа:
Jiang, Xingxing; Yang, Y.i.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Gong, Pifu; Liang, Fei; Wang, Shuaihua; Liu, Lei; Wu, Xiang; Li, Xiaodong; Li, Yanchun; Wu, Shaofan; Li, Wei; Wu, Yicheng; Lin, Zheshuai
}
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Unique Nanomechanical Properties of Diamond-Lonsdaleite Biphases: Combined Experimental and Theoretical Consideration of Popigai Impact Diamonds / W. Baek [et al.] // Nano Lett. - 2019. - Vol. 19, Is. 3. - P. 1570-1576, DOI 10.1021/acs.nanolett.8b04421. - Cited References: 38. - The authors thank Dr. Valentin Afanasiev (Sobolev Institute of Geology and Mineralogy, Novosibirsk, Russia) for giving us access to a representative set of impact diamonds from Popigai astrobleme. The authors also acknowledge ID-15B beamline at the European Synchrotron Radiation Facility (ESRF) for providing measurement times and technical support. Dr. Valerio Cerantola (ESRF) is thanked for his kind support with the laser-heating setup. W.B., A.V.K., and P.V.A. acknowledge the National Research Foundation of Republic of Korea for support under grant no. NRF-2017R1A2B4001410. . - ISSN 1530-6984. - ISSN 1530-6992

РУБ Chemistry, Multidisciplinary + Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter
Рубрики:
CARBON
   PRESSURES
   GRAPHITE
   HARDNESS
   ORIGIN
Кл.слова (ненормированные):
Impact diamonds -- lonsdaleite -- compressibility -- high-pressure -- diamond/lonsdailete biphases
Аннотация: For the first time, lonsdaleite-rich impact diamonds from one of the largest Popigai impact crater (Northern Siberia) with a high concentration of structural defects are investigated under hydrostatic compression up to 25 GPa. It is found that, depending on the nature of a sample, the bulk modulus for lonsdaleite experimentally obtained by X-ray diffraction in diamond-anvil cells is systematically lower and equal to 93.3–100.5% of the average values of the bulk moduli of a diamond matrix. Density functional theory calculations reveal possible coexistence of a number of diamond/lonsdaleite and twin diamond biphases. Among the different mutual configurations, separate inclusions of one lonsdaleite (001) plane per four diamond (111) demonstrate the lowest energy per carbon atom, suggesting a favorable formation of single-layer lonsdaleite (001) fragments inserted in the diamond matrix. Calculated formation energies and experimental diamond (311) and lonsdaleite (331) powder X-ray diffraction patterns indicate that all biphases could be formed under high-temperature, high-pressure conditions. Following the equation of states, the bulk modulus of the diamond (111)/lonsdaleite (001) biphase is the largest one among all bulk moduli, including pristine diamond and lonsdaleite.

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Держатели документа:
Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South Korea.
Kyungpook Natl Univ, Greennano Mat Res Ctr, 80 Daehak Ro, Daegu 41566, South Korea.
Novosibirsk State Univ, Dept Phys, Pirogova Str 2, Novosibirsk 630090, Russia.
Nikolaev Inst Inorgan Chem SB RAS, Dept Crystal Chem, Lavrentiev Ave 3, Novosibirsk 630090, Russia.
Siberian Fed Univ, 79 Svobodniy Pr, Krasnoyarsk 660041, Russia.
ESRF European Synchrotron, 71 Ave Martyrs, F-38000 Grenoble, France.
Tomsk State Univ, 36 Lenin Prospekt, Tomsk 634050, Russia.
BAM Fed Inst Mat Res & Testing, Richard Willstatter Str 11, D-12489 Berlin, Germany.
Kirensky Inst Phys, Fed Res Ctr KSC SB RAS, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Baek, Woohyeon; Gromilov, Serey A.; Kuklin, Artem, V; Kovaleva, Evgenia A.; Fedorov, A. S.; Федоров, Александр Семенович; Sukhikh, Alexander S.; Hanfland, Michael; Pomogaev, Vladimir A.; Melchakova, Iuliia A.; Avramov, P. V.; Аврамов, Павел Вениаминович; Yusenko, Kirill, V
}
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    Anomalous mechanical materials squeezing three-dimensional volume compressibility into one dimension / X. Jiang, M. S. Molokeev, L. Dong [et al.] // Nat. Commun. - 2020. - Vol. 11, Is. 1. - Ст. 5593, DOI 10.1038/s41467-020-19219-5. - Cited References: 49. - The authors acknowledge Zhuohong Yin for useful discussions and the experimental time provided by the 4W2 beam line of Beijing Synchrotron Radiation Facility (BSRF). This work was supported by the National Scientific Foundations of China (Grants 51702330, 11974360, 51872297, 51890864, 21975132, and 21991143), the Youth Innovation Promotion Association in CAS (Grant 2017035 for X.J.), Young Elite Scientist Sponsorship Program by CAST (YESS), and Fujian Institute of Innovation (FJCXY18010201) in CAS . - ISSN 2041-1723
   Перевод заглавия: Аномальные механические материалы, преобразующие трехмерную объемную сжимаемость в одномерную
Кл.слова (ненормированные):
high pressure -- mechanical property -- one-dimensional modeling -- precision -- pressure effect -- stress-strain relationship -- three-dimensional modeling
Аннотация: Anomalous mechanical materials, with counterintuitive stress-strain responding behaviors, have emerged as novel type of functional materials with highly enhanced performances. Here we demonstrate that the materials with coexisting negative, zero and positive linear compressibilities can squeeze three-dimensional volume compressibility into one dimension, and provide a general and effective way to precisely stabilize the transmission processes under high pressure. We propose a “corrugated-graphite-like” structural model and discover lithium metaborate (LiBO2) to be the first material with such a mechanical behavior. The capability to keep the flux density stability under pressure in LiBO2 is at least two orders higher than that in conventional materials. Our study opens a way to the design and search of ultrastable transmission materials under extreme conditions.

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Держатели документа:
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, SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan, 430074, China
Laboratory of Space Astronomy and Technology, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100101, China
University of Chinese Academy of Sciences, Beijing, 100049, China
Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049, China
Institute of Deep-sea Science and Engineering, Chinese Academy of Sciences, Sanya, 572000, China
Institute of Mechanics, Chinese Academy of Sciences, Beijing, 100190, China
School of Materials Science and Engineering; TKL of Metal and Molecule-Based Material Chemistry, Nankai University, Tianjin, 300350, China

Доп.точки доступа:
Jiang, X.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Dong, L.; Dong, Z.; Wang, N.; Kang, L.; Li, X.; Li, Y.; Tian, C.; Peng, S.; Li, W.; Lin, Z.
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    Unexpected giant negative area compressibility in palladium diselenide / X. Jiang, S. Zhang, D. Jiang [et al.] // Natl. Sci. Rev. - 2023. - Vol. 10, Is. 9. - Ст. nwad016, DOI 10.1093/nsr/nwad016. - Cited References: 49. - This work was supported by the National Scientific Foundations of China (Grants 22133004, 11974360, T2222017 and 51890864), and the CAS Project for Young Scientists in Basic Research (YSBR-024) . - ISSN 2095-5138. - ISSN 2053-714X
   Перевод заглавия: Неожиданная гигантская отрицательная сжимаемость диселенида палладия
Кл.слова (ненормированные):
Negative area compressibility -- Lifshitz mechanism -- Charge transfer
Аннотация: Negative area compressibility (NAC) is a counterintutive “squeeze-expand” behavior in solids that is very rare but attractive due to possible pressure-response applications and coupling with rich physicochemical properties. Herein, NAC behavior is reported in palladium diselenide with a large magnitude and wide pressure range. We discover that, apart from the rigid flattening of layers that has been generally recognized, the unexpected giant NAC effect in PdSe2 largely comes from anomalous elongation of intralayer chemical bonds. Both structural variations are driven by intralayer-to-interlayer charge transfer with enhanced interlayer interactions under pressure. Our work updates the mechanical understanding of this anomaly and establishes a new guideline to explore novel compression-induced properties.

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Держатели документа:
New Functional Crystals Group, Key Laboratory of Functional Crystals and Laser Technology, 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, Beijing100049, P.R. China.
Center for High Pressure Science & Technology Advanced Research, Beijing 100094, China.
School of Materials Science and Engineering, Peking University, Beijing 100871, China.
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036, Russia.
University of Chinese Academy of Sciences, Beijing 100049, China.
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia.
Siberian Federal University, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Jiang, Xingxing; Zhang, Shengzi; Jiang, Dequan; Wang, Yonggang; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, Naizheng; Liu, Youquan; Zhang, Xingyu; Lin, Zheshuai
}
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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. 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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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.

Смотреть статью
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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