Effect of local changes in the composition of the LiNb1−xTaxO3 single crystal on the Raman spectra

Abstract

AbstractThis paper presents the results of studying the effect of local changes in the composition of the LiNb1−xTaxO3 single crystal on the Raman spectra. Analysis of the crystal composition was carried out using laser ablation inductively coupled plasma mass spectrometry. Using statistical analysis of data on local changes in the chemical composition of a single crystal, it was found that Nb atoms partially replace Li vacancies. Using principal component analysis in combination with correlation analysis, the contribution of a change in the crystal composition to a change in the Raman spectra is determined. Found principal components correctly predict the shift of the Raman lines at transition of the crystal composition from niobate to lithium tantalate. During the formation of a mixed LiNb1−xTaxO3 crystal, at small amounts of Ta atoms replacing Nb, the substitution occurs in the cation sublattice.