The present report represents an overview of the results of a combined experimental-computational study of electronic structure, thermoluminescence (TL) and afterglow properties of Ca2Ge7O16:Dy3+ synthesized for the first time. Afterglow curves of Ca2Ge7O16:Dy3+ at 575 nm showing persistent luminescence have been described in Becquerel law. The TL measurements reveal at least one TL band at 326 K and two luminescence bands at 475 and 535 nm. Persistent luminescence in Ca2Ge7O16:Dy3+ originates from relatively shallow charge traps with high probability of charge carriers recapture. The model of energy processes, configurations of traps and luminescence centers has been proposed with the aid of ab initio calculations performed using the LCAO approximation and several hybrid functionals
