Identification of surface oxygen vacancy-related phonon–plasmon coupling in TiO<sub>2</sub> single crystal

Identification of surface oxygen vacancy-related phonon–plasmon coupling in TiO₂ single crystal

Guo Jun-Hong¹, Li Ting-Hui², Hu Fang-Ren^{1, †,}, Liu Li-Zhe^{3, ‡,}

(a) Optimized structure of TiO₂ cell used in the DFT calculations, (b) optimized structure of TiO₂ along the direction of (001), (c) vibration of E_g Raman mode, and (d) vibration of A_1g Raman mode.