Many-Body Effects on the Electronic and Optical Properties of Lead-Free KNbO3–xQx (x = 0, 1, 2; Q = S, Se) Oxychalcogenide Perovskites
Rajender Prasad Tiwari
Abstract:Oxychalcogenide perovskites are a novel class of materials that exhibit a distinct electronic structure, combining covalent and ionic bonding with a prominent excitonic effect. We investigate the many-body effects on the quasiparticle band structures and optical absorption spectra of oxychalcogenide perovskite KNbO 3−x Q x (x = 0, 1, 2; Q = S, Se) compounds using the GW approximation and the Bethe−Salpeter equation (BSE) within Green's function formulation of many-body perturbation theory. By performing the ev… Show more
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