Correlation between band gap and Raman intensity

Abstract

Raman spectroscopy has become a powerful tool for studying material properties due to its precise identification of structural features. Previous studies have focused more on the qualitative changes of Raman peaks, with little attention paid to the quantitative changes in the Raman intensity itself. Based on the theoretical calculations of Raman spectra and electronic structures of a series of semiconductors under different pressures, and through further statistical analysis, we established the relationship between Raman intensity and band gap in the form of a formula. When the Raman intensity increases, it is always accompanied by a decrease in the band gap. These insights provide a broader perspective for the application of Raman spectroscopy.