Magnetic state around cation vacancies in II-VI semiconductors.
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.
Chanier
T
T
Laboratoire Matériaux et Microélectronique de Provence associé au Centre National de la Recherche Scientifique, UMR 6137, Université de Provence, France.
Opahle
I
I
Sargolzaei
M
M
Hayn
R
R
Lannoo
M
M