title: Investigations of zero-field splitting (ZFS) and local distortion parameters of Fe3+ ions doped into three oxi-spinels (ZnAl2O4, MgAl2O4, and ZnGa2O4) by theoretical analysis.
abstract: The local environment around the paramagnetic centers formed by the Fe(3+) ions doped into three oxi-spinel crystals (ZnAl(2)O(4), MgAl(2)O(4), and ZnGa(2)O(4)) is investigated utilizing the fourth-order perturbation formula of the axial zero-field splitting parameter D on the basis of the dominant spin-orbit coupling mechanism. In order to fix a plausible cubic space group for B-sites located by Al(3+)/Ga(3+) cations, several modeling approaches are used and the results are discussed in detail.
authors.affiliation: Faculty of Arts and Sciences, Bahcesehir University, Beşiktaş, 34353 İstanbul, Turkey. macikgoz@bahcesehir.edu.tr
authors.forename: Muhammed
authors.initials: M
authors.lastname: Açıkgöz
mesh_terms: D000537:Aluminum Oxide / Q000737:chemistry*; D003460:Crystallization; D007477:Ions / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D008277:Magnesium Oxide / Q000737:chemistry*; D008956:Models, Chemical
chemical_list: D007477:Ions; C111130:spinell; D008277:Magnesium Oxide; D007501:Iron; D000537:Aluminum Oxide