中国物理B ›› 2021, Vol. 30 ›› Issue (4): 47102-.doi: 10.1088/1674-1056/abccb5

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  • 收稿日期:2020-10-12 修回日期:2020-11-10 接受日期:2020-11-23 出版日期:2021-03-16 发布日期:2021-03-16

Polarization-resolved Raman spectra of α -PtO2

Zhanhong Lei(雷展宏)1, Weiliang Wang(王伟良)1,†, and Juncong She(佘峻聪)2   

  1. 1 State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Province Key Laboratory of Display Material and Technology, School of Physics, Sun Yat-sen University, Guangzhou 510275, China; 2 State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Province Key Laboratory of Display Material and Technology, School of Electronics and Information Technology, Sun Yat-sen University, Guangzhou 510275, China
  • Received:2020-10-12 Revised:2020-11-10 Accepted:2020-11-23 Online:2021-03-16 Published:2021-03-16
  • Contact: †Corresponding author. E-mail: wangwl2@mail.sysu.edu.cn
  • Supported by:
    Project supported by the Key-Area Research and Development Program of GuangDong Province, China (Grant No. 2019B030330001), the National Key R&D Program of China (Grant No. 2016YFA0202000), the Natural Science Foundation of Guangdong Province, China (Grant No. 2018B030311045), the National Natural Science Foundation of China (Grant No. 11704419), and the Physical Research Platform (PRP) in School of Physics, SYSU.

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Abstract: Using density functional theory, we investigate the vibrational properties and polarization-resolved Raman spectra of α -PtO2 and obtain the Raman tensor and angle-dependent Raman intensity of α -PtO2. It is found that the polar plot of A 1g mode in parallel polarization configuration is useful in identifying the orientation of the crystal. The Raman intensity of the Eg mode is about five times stronger than that of the A1g mode. The Raman intensity is about three times stronger when the wave vector of the incident light is in x or y direction than in z direction. Our work will help the material scientists to characterize the α -PtO2 and to identify its orientation by comparing the experimental spectra with our result.

Key words: Raman tensor, DFT, α -PtO2

中图分类号: 

  • 31.15.E-
78.30.-j (Infrared and Raman spectra)