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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Jiang X., Molokeev M. S., Li W., Wu S., Lin Z., Wu Y., Chen C.
Заглавие : The mechanism of the area negative thermal expansion in KBe2BO3F2 family crystals: A first-principles study
Место публикации : J. Appl. Phys.: American Institute of Physics, 2016. - Vol. 119, Is. 5. - Ст.055901. - ISSN 00218979 (ISSN), DOI 10.1063/1.4941266
Примечания : 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).
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : FILONOV A. N.
Заглавие : FINITE SUBSTRATE COMPRESSIBILITY EFFECT AT MONATOMIC FILM ADSORPTION
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1983. - Vol. 25, Is. 8. - P2524-2526. - ISSN 0367-3294
Примечания : Cited References: 9
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Jiang, Xingxing, Yang, Y.i., Molokeev M. S., Gong, Pifu, Liang, Fei, Wang, Shuaihua, Liu, Lei, Wu, Xiang, Li, Xiaodong, Li, Yanchun, Wu, Shaofan, Li, Wei, Wu, Yicheng, Lin, Zheshuai
Заглавие : Zero linear compressibility in nondense borates with a "Lu-Ban stool"-like structure
Место публикации : Adv. Mater. - 2018. - Vol. 30, Is. 32. - Ст.1801313. - ISSN 0935-9648, DOI 10.1002/adma.201801313. - ISSN 1521-4095(eISSN)
Примечания : 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.).
Предметные рубрики: MECHANICAL METAMATERIALS
PRESSURE
METABORATE
STRENGTH
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Baek, Woohyeon, Gromilov, Serey A., Kuklin, Artem, V, Kovaleva, Evgenia A., Fedorov A. S., Sukhikh, Alexander S., Hanfland, Michael, Pomogaev, Vladimir A., Melchakova, Iuliia A., Avramov P. V., Yusenko, Kirill, V
Заглавие : Unique Nanomechanical Properties of Diamond-Lonsdaleite Biphases: Combined Experimental and Theoretical Consideration of Popigai Impact Diamonds
Место публикации : Nano Lett. - 2019. - Vol. 19, Is. 3. - P.1570-1576. - ISSN 1530-6984, DOI 10.1021/acs.nanolett.8b04421. - ISSN 1530-6992(eISSN)
Примечания : 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.
Предметные рубрики: CARBON
PRESSURES
GRAPHITE
HARDNESS
ORIGIN
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Jiang X., Molokeev M. S., Dong L., Dong Z., Wang N., Kang L., Li X., Li Y., Tian C., Peng S., Li W., Lin Z.
Заглавие : Anomalous mechanical materials squeezing three-dimensional volume compressibility into one dimension
Место публикации : Nat. Commun. - 2020. - Vol. 11, Is. 1. - Ст.5593. - ISSN 20411723 (ISSN), DOI 10.1038/s41467-020-19219-5
Примечания : 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
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Jiang, Xingxing, Zhang, Shengzi, Jiang, Dequan, Wang, Yonggang, Molokeev M. S., Wang, Naizheng, Liu, Youquan, Zhang, Xingyu, Lin, Zheshuai
Заглавие : Unexpected giant negative area compressibility in palladium diselenide
Место публикации : Natl. Sci. Rev. - 2023. - Vol. 10, Is. 9. - Ст.nwad016. - ISSN 20955138 (ISSN), DOI 10.1093/nsr/nwad016. - ISSN 2053714X (eISSN)
Примечания : 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)
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhang, Xingyu, Liu, Youquan, Molokeev M. S., Xu, Bohui, Jiang, Xingxing, Lin, Zheshuai
Заглавие : Realizing persistent zero area compressibility over a wide pressure range in Cu2GeO4 by microscopic orthogonal-braiding strategy
Колич.характеристики :6 с
Место публикации : Angew. Chem. Int. Ed. - 2024. - Vol. 63, Is. 7. - Ст.e202318401. - ISSN 14337851 (ISSN), DOI 10.1002/anie.202318401. - ISSN 15213773 (eISSN)
Примечания : 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)
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhang, Xingyu, Liu, Youquan, Molokeev M. S., Xu, Bohui, Jiang, Xingxing, Lin, Zheshuai
Заглавие : Realizing persistent zero area compressibility over a wide pressure range in Cu2GeO4 by microscopic orthogonal-braiding strategy
Колич.характеристики :6 с
Место публикации : Angew. Chem. - 2024. - Vol. 136, Is. 7. - Ст.e202318401. - ISSN 00448249 (ISSN), DOI 10.1002/ange.202318401. - ISSN 15213757 (eISSN)
Примечания : 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)
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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