title: Magnetic state around cation vacancies in II-VI semiconductors.
abstract: The magnetic properties of neutral cation vacancies in II-VI semiconductors are examined using first principles calculations and group theory. A molecular cluster model of a single vacancy in II-VI semiconductors is developed to explain the observed chemical trend. We show that a single Zn vacancy in ZnO yields a total spin ST=1 in agreement with experiments. But for the other less ionic Zn-based II-VI semiconductors ZnA (A=S, Se, Te) this spin triplet state is nearly degenerate with a nonmagnetic spin singlet state.
authors.affiliation: Laboratoire Matériaux et Microélectronique de Provence associé au Centre National de la Recherche Scientifique, UMR 6137, Université de Provence, France.
authors.forename: T
authors.initials: T
authors.lastname: Chanier
authors.forename: I
authors.initials: I
authors.lastname: Opahle
authors.forename: M
authors.initials: M
authors.lastname: Sargolzaei
authors.forename: R
authors.initials: R
authors.lastname: Hayn
authors.forename: M
authors.initials: M
authors.lastname: Lannoo