Ferromagnetism in (Mn,Li) co-doped CdSeZ. Nabi and R. Ahuja
Condensed Matter Theory Group, Department of Physics, Uppsala University - Box 530, S-751 21, Uppsala, Sweden, EU
received 23 June 2008; accepted in final form 30 October 2008; published December 2008
published online 16 December 2008
Ab initio calculations based on the density functional theory are reported for the Mn-doped CdSe for 5.5% and 12.5% Mn on a Cd sublattice. It is found that Mn-doped CdSe is antiferromagnetic. An essential ingredient to stabilize the ferromagnetism in bulk Cd1-xMnxSe can be realized by the co-doping of Li. We demonstrate that CdSe co-doped with Mn and Li has a stable ferromagnetic ground state and we show that the electronic structure of Cd1-2xMnxLixSe has a nearly metallic character.
75.50.Pp - Magnetic semiconductors.
71.20.-b - Electron density of states and band structure of crystalline solids.
71.15.Nc - Total energy and cohesive energy calculations.
© EPLA 2008