Generation of multiple plasmons in strontium niobates mediated by local field effects

Abstract

Recently, an anomalous generation of multiple plasmons with large spectral weight transfer in the visible to ultraviolet range (energies below the band gap) has been experimentally observed in the insulating-like phase of oxygen-rich strontium niobium oxides (SrNbO$_{3+\delta}$). Here, we investigate the ground state and dielectric properties of SrNbO$_{3+\delta}$ as a function of $\delta$ by means of extensive first principle calculations. We find that in the random phase approximation by taking into account the local field effects (LFEs), our calculations are able to reproduce both the unconventional multiple generations of plasmons and spectral weight transfers, consistent with experimental data. Interestingly, these unconventional plasmons can be tuned by oxygen stoichiometry as well as microscopic superstructure. This unusual predominance of LFEs in this class of materials is ascribed to the strong electronic inhomogeneity and high polarizability and paves a new path to induce multiple plasmons in the untapped visible to ultraviolet ranges of insulating-like oxides.