CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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High-temperature Raman spectroscopic study of vanadoborate Na3VO2B6O11 |
Ji Zhang(张季)1, De-Ming Zhang(张德明)2, Qing-Li Zhang(张庆礼)2, Shao-Tang Yin(殷绍唐)2 |
1. An Hui Xin Hua University, Hefei 230088, China; 2. Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China |
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Abstract Raman spectra of a vanadoborate (Na3VO2B6O11) crystal from room temperature up to the melting point have been recorded. The main internal vibrational modes of the crystal have been assigned. It was found that all the Raman bands exhibit decreases in frequency and the widths of the Raman bands increase with the increase of temperature. However, no phase transition was observed under 525 ℃. The micro-structure of its melt was studied by quantum chemistry ab initio calculation. The continuous three-dimensional network of the crystal collapsed and transformed into VO4 and VBO6 clusters during the melting process with an isomerization reaction from four-coordinated boron to a three-coordinated species.
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Received: 02 November 2015
Revised: 13 December 2015
Accepted manuscript online:
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PACS:
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78.30.-j
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(Infrared and Raman spectra)
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81.70.-q
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(Methods of materials testing and analysis)
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63.70.+h
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(Statistical mechanics of lattice vibrations and displacive phase transitions)
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Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 51302268 and 51102239) and the Natural Science Foundation of Anhui Province, China (Grant No. KJ2015A339). |
Corresponding Authors:
Ji Zhang
E-mail: 18956063545@189.cn
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Cite this article:
Ji Zhang(张季), De-Ming Zhang(张德明), Qing-Li Zhang(张庆礼), Shao-Tang Yin(殷绍唐) High-temperature Raman spectroscopic study of vanadoborate Na3VO2B6O11 2016 Chin. Phys. B 25 037802
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