High-temperature Raman spectroscopic study of vanadoborate Na3VO2B6O11

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

中国物理B ›› 2016, Vol. 25 ›› Issue (3): 37802-037802.doi: 10.1088/1674-1056/25/3/037802

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

High-temperature Raman spectroscopic study of vanadoborate Na₃VO₂B₆O₁₁

Ji Zhang(张季), De-Ming Zhang(张德明), Qing-Li Zhang(张庆礼), Shao-Tang Yin(殷绍唐)

1. An Hui Xin Hua University, Hefei 230088, China;
2. Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China

收稿日期:2015-11-02 修回日期:2015-12-13 出版日期:2016-03-05 发布日期:2016-03-05
通讯作者: Ji Zhang E-mail:18956063545@189.cn
基金资助:
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).

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

Received:2015-11-02 Revised:2015-12-13 Online:2016-03-05 Published:2016-03-05
Contact: Ji Zhang E-mail:18956063545@189.cn
Supported by:
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).

摘要/Abstract

摘要： 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.

关键词: Na₃VO₂B₆O₁₁ crystal, high-temperature Raman spectroscopy, vibration mode

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.

Key words: Na₃VO₂B₆O₁₁ crystal, high-temperature Raman spectroscopy, vibration mode

中图分类号: (Infrared and Raman spectra)

78.30.-j

81.70.-q (Methods of materials testing and analysis) 63.70.+h (Statistical mechanics of lattice vibrations and displacive phase transitions)

张季, 张德明, 张庆礼, 殷绍唐. High-temperature Raman spectroscopic study of vanadoborate Na₃VO₂B₆O₁₁[J]. 中国物理B, 2016, 25(3): 37802-037802.

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[J]. Chin. Phys. B, 2016, 25(3): 37802-037802.

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High-temperature Raman spectroscopic study of vanadoborate Na₃VO₂B₆O₁₁

High-temperature Raman spectroscopic study of vanadoborate Na₃VO₂B₆O₁₁

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