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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Wang, Naizheng, Jiang, Xingxing, Molokeev M. S., Song, Gaomin, Guo, Shibin, Huang, Rongjin, Li, Laifeng, Wu, Yicheng, Lin, Zheshuai
Заглавие : Linear Zero Thermal Expansion in a Deep-Ultraviolet Transparent Crystal of BPO4 with Cristobalite-like Structure
Коллективы : National Scientific Foundations of China [51872297, 51702330, 51802321, 51890864]; Fujian Institute of Innovation [FJCXY18010201]; Youth Innovation Promotion Association in CAS [2017035]
Место публикации : Cryst. Growth Des. - 2019. - Vol. 19, Is. 6. - P.3109-3112. - ISSN 1528-7483, DOI 10.1021/acs.cgd.9b00361. - ISSN 1528-7505(eISSN)
Примечания : Cited References: 32. - This work was supported by the National Scientific Foundations of China (Grants 51872297, 51702330, 51802321 and 51890864) and Fujian Institute of Innovation (FJCXY18010201) in CAS, and the Youth Innovation Promotion Association in CAS (outstanding member for Z.L. and Grant 2017035 for X.J.).
Предметные рубрики: PHASE-TRANSITION
DIFFRACTION
QUARTZ
Аннотация: We report the discovery of the zero thermal expansion (ZTE) effect in BPO4, a famous deep-ultraviolet (DUV) optical material with cristobalite-like structure. It is revealed that BPO4 has a linear ZTE coefficient of -0.16(5) MK-1 along the c-axis as temperature increases from 13 to 300 K, which originates from the subtle counterbalance between the rotation-induced expansion and contraction effects among BO4 and PO4 groups. BPO4 is a unique DUV cristobalite-like material exhibiting the linear ZTE behavior.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Smirnov, Mikhail, Roginskii, Evgenii, Savin, Aleksandr, Oreshonkov A. S., Pankin, Dmitrii
Заглавие : Density-functional study of the Si/SiO2 interfaces in short-period superlattices: Vibrational states and Raman spectra
Колич.характеристики :18 с
Место публикации : Photonics. - 2023. - Vol. 10, Is. 8. - Ст.902. - ISSN 23046732 (eISSN), DOI 10.3390/photonics10080902
Примечания : Cited References: 61. - The study was supported by grants from the Russian Science Foundation (project No. 22-22-20021) and the Saint-Petersburg Science Center (project No. 32/2022), using the resources of the Computing Center and the Center for Optical and Laser Materials Research at the Research Park of St. Petersburg State UniversityThe study was performed using the resources of the Computing Center and the Center for Optical and Laser Materials Research at the Research Park of St. Petersburg State University. The authors thank Konstantin Smirnov for his valuable advice. The calculations were also performed in part using the facilities of the JSCC supercomputer center at RAS and the Konstantinov computational center at the Ioffe Institute
Аннотация: Raman spectroscopy has proven its effectiveness as a highly informative and sensitive method for the nondestructive analysis of layered nanostructures and their interfaces. However, there is a lack of information concerning the characteristic phonon modes and their activity in Si/SiO2 nanostructures. In order to overcome this problem, the phonon states and Raman spectra of several Si/SiO2 superlattices (SL) with layer thicknesses varied within 0.5–2 nm are studied using DFT-based computer modeling. Two types of structures with different interfaces between crystalline silicon and SiO2 cristobalite were studied. A relationship between the phonon states of heterosystems and the phonon modes of the initial crystals was established. Estimates of the parameters of deformation potentials are obtained, with the help of which the shifts of phonon frequencies caused by elastic strains in the materials of the SL layers are interpreted. The dependence of intense Raman lines on the SL structure has been studied. Several ways have been proposed to use this information, both for identifying the type of interface and for estimating the structural parameters. The obtained information will be useful for the spectroscopic characterization of the silicon/oxide interfaces.
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