The electronic structure of the WO66--Zn2+ complex in a ZnWO4 crystal was calculated by using the configuration interaction method within the embedded cluster approach. The dependences of the energies of the electronic states of the WO66--Zn2+ center, upon the displacements of the atomic coordinates that modelled the vibrations of the WO66- group, were calculated. The spectrum of the ZnWO4 intrinsic emissions was explained on the basis of results obtained. The influence of nearby VO and VZn vacancies upon the electronic structure of the WO66--Zn2+ complex was studied.

Theoretical Investigation of Tungstate Crystals with Point Defects. Y.A.Hizhnyi, T.N.Nikolaenko, S.G.Nedilko: Physica Status Solidi C, 2007, 4[3], 1217-21