Atomistic simulation and spectroscopic study of the Eu3+ doped CaSO

Defect clustering in an Eu-doped NaMgF3 compound and its influence on luminescent properties

“…[37][38][39][40] In addition, atomistic simulation procedures, combined with crystal field theory, is an practical method for describing spectroscopic properties of lanthanide ion-doped compounds and their dopant-related effects. Recently, Otsuka et al 41 performed a study from a spectroscopic point of view, combining atomistic simulation, the simple overlap model (SOM), 42 and the method of nearest neighbours 43 (theoretical models of crystal field). The combination of both methodologies successfully described local symmetry and coordination number of the optically active ion, crystal field parameters, crystal field strength, 7 F 1 stark sub-levels, and splitting.…”