Raman spectrum of anatase, TiO₂

TLDR

Raman spectra of anatase have been observed in both natural and synthetic crystals. A simple short‑range force model was used to analyze the spectra, yielding calculated vibrational frequencies that agree well with observations. Both natural and synthetic anatase crystals exhibit identical Raman features, including a temperature‑dependent splitting of the 516 cm⁻¹ band into peaks at 519 and 513 cm⁻¹, and all six group‑theory‑predicted fundamentals are observed and assigned.

Abstract

Abstract Raman spectra of anatase have been observed in natural and synthetic crystals. Both crystals show the same spectral features. The Raman band occurring at 516 cm −1 at room temperature is split into two peaks centred at 519 cm −1 and 513 cm −1 at low temperature (73 K). The six Raman active fundamentals predicted by group theory are all observed and assigned. The spectra are analyzed by a simple model considering only short‐range forces and the calculated vibrational frequencies are in good agreement with the observed Raman frequencies.