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    Linear Zero Thermal Expansion in a Deep-Ultraviolet Transparent Crystal of BPO4 with Cristobalite-like Structure / N. Z. Wang [et al.] // Cryst. Growth Des. - 2019. - Vol. 19, Is. 6. - P. 3109-3112, DOI 10.1021/acs.cgd.9b00361. - 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.). . - ISSN 1528-7483. - ISSN 1528-7505
   Перевод заглавия: Нулевое линейное тепловое расширение в прозрачном для ультрафиолетового излучения кристалле BPO4 с кристобалитоподобной структурой

РУБ Chemistry, Multidisciplinary + Crystallography + Materials Science, Multidisciplinary
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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Держатели документа:
Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Cryogen, Beijing 100190, Peoples R China.
Tianjin Univ Technol, Inst Funct Crystals, Tianjin 300384, Peoples R China.
Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Univ Chinese Acad Sci, Ctr Mat Sci & Optoelect Engn, Beijing 100049, Peoples R China.

Доп.точки доступа:
Wang, Naizheng; Jiang, Xingxing; Molokeev, M. S.; Молокеев, Максим Сергеевич; Song, Gaomin; Guo, Shibin; Huang, Rongjin; Li, Laifeng; Wu, Yicheng; Lin, Zheshuai; National Scientific Foundations of China [51872297, 51702330, 51802321, 51890864]; Fujian Institute of Innovation [FJCXY18010201]; Youth Innovation Promotion Association in CAS [2017035]
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Density-functional study of the Si/SiO2 interfaces in short-period superlattices: Vibrational states and Raman spectra / M. Smirnov, E. Roginskii, A. Savin [et al.] // Photonics. - 2023. - Vol. 10, Is. 8. - Ст. 902, DOI 10.3390/photonics10080902. - 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 University. - The 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 . - ISSN 2304-6732
Кл.слова (ненормированные):
silicon -- cristobalite -- interface -- superlattice -- Raman spectra -- DFT modelling
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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Держатели документа:
Faculty of Physics, Saint-Petersburg State University, Universitetskaya nab. 7/9, Saint-Petersburg 199034, Russia
Laboratory of Spectroscopy of Solid State, Ioffe Institute, Politehnicheskaya St. 26, Saint-Petersburg 194021, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok St. 50/38, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Svobodny pr. 82, Krasnoyarsk 660041, Russia
Center for Optical and Laser Materials Research, Research Park, Saint-Petersburg State University, Universitetskaya nab. 7/9, Saint-Petersburg 199034, Russia

Доп.точки доступа:
Smirnov, Mikhail; Roginskii, Evgenii; Savin, Aleksandr; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Pankin, Dmitrii
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