High-temperature Raman spectroscopic study of vanadoborate Na3VO2B6O11

doi:10.1088/1674-1056/25/3/037802

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.

Keywords: Na₃VO₂B₆O₁₁ crystal high-temperature Raman spectroscopy vibration mode

Received: 02 November 2015
Revised: 13 December 2015
Accepted manuscript online:

PACS:	78.30.-j	(Infrared and Raman spectra)
	81.70.-q	(Methods of materials testing and analysis)
	63.70.+h	(Statistical mechanics of lattice vibrations and displacive phase transitions)

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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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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High-temperature Raman spectroscopic study of vanadoborate Na3VO2B6O11

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High-temperature Raman spectroscopic study of vanadoborate Na₃VO₂B₆O₁₁