关键词: 二碲化钨, 第一性原理计算, Raman光谱

Abstract: The corresponding Raman spectra were obtained by using λ=532 nm laser excitation with the incident laser beam direction parallel to the baxis and caxis of the single crystal material WTe₂, respectively. Based on the firstprinciples calculations, we studied the Raman spectra of the single crystal material WTe₂ under two excitation conditions. We gave a tentative assignment on the Raman spectra of the single crystal material WTe₂ based on the theoretical calculation and the polarized Raman spectra of WTe₂. Experimental results show that the Raman spectra of the single crystal material WTe₂ excited by the incident laser beam direction parallel to the baxis  have more significant changes than those obtained by the excitation along the caxis.

Key words: firstprinciples calculation, tungsten (Ⅳ) telluride, Raman spectrum