| 摘 要： | Using density functional theory,we investigate the vibrational properties and polarization-resolved Raman spectra ofα-PtO_2 and obtain the Raman tensor and angle-dependent Raman intensity of α-PtO_2.It is found that the polar plot of A_(1 g)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 A_(1 g) 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-PtO_2 and to identify its orientation by comparing the experimental spectra with our result.
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