The dependence of the full electronic potential V ( z ) in paraelectric and ferroelectric phases of SbSI and SbSBr crystals upon the normal coordinate of symmetry B1, formed of atom displacements along the c ( z ) axis is studied in the vicinity of Sb atoms. The exponential dependence of the absorption coefficient K ( E ) upon the photon energy E is shown to be caused by interaction of electrons with the phonons of the normal mode B:,,. Thermal fluctuations of atoms in the xy plane induce fluctuations of anharmonicity of V ( z ) in the phase transition region around temperature T, in SbSI and SbSBr. These anharmonicity fluctuations, in their turn, cause anomalies in the temperature dependence of the absorption edge InK(E) slope. It is demonstrated using the pseudopotential approach that the variation of the direct band gap during the phase transition is mainly determined by variation of the structure form factor when Sb atoms change their equilibrium position.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.