Ferromagnetism in p-Type Manganese-Doped Zinc Oxide Quantum Dots.

Abstract

The magnetic exchange interactions between paramagnetic Mn(2+) dopants in the presence of a N(2-) p-type defect in zinc oxide quantum dots are studied using density functional theory. Spin-dependent delocalization of the N(2-) 2p acceptor level among the nearest-neighbor Mn(2+) dopants is observed. The calculations show that parallel Mn(2+) spin alignment is favored upon the formation of a nitrogen-bridged Mn-Mn dimer. Although the effect is short-ranged, the observed magnitude of stabilization of the ferromagnetic alignment of nearest-neighbor Mn(2+) spins arises from p-d exchange and suggests p-type Mn(2+)-doped ZnO quantum dots as excellent candidates for exhibiting room-temperature ferromagnetism. Analytical expressions are derived and supported by density functional theory calculations that show that the N(2-) concentration has a stronger influence on the magnetic splitting compared with that of the Mn(2+) concentration.