ESR g-Tensors of Defects in a Se Chain

Abstract

We calculate ESR g-tensors of paramagnetic defects in a Se chain, n- and p-type polarons (²P⁻ and ²P⁺), neutral radical chain end (²C₁⁰) as well as radicals of small Se molecules, with an INDO type semi-empirical model and the single excitation configuration interaction approximation. Based on the calculations, we examine and revise our previous interpretation for the photo-induced phenomena observed in Se chains enclosed in mordenite channels.