Carrier Co-doping Method with Size Compensation to Enhance T_C of Mn-doped Nitrides

Abstract

Based on ab initio electronic structure calculations of Mn-doped III–V nitrides (AlN, GaN, InN), a co-doping method with size compensation to enhance the Curie temperature (T_C) of Nitride-based DMS is proposed. Three cases are considered: (1) Single doping: cations are substituted randomly by Mn. (2) One-site co-doping: Cations or anions are substituted by co-dopants. (3) Two-site co-doping: co-dopants are introduced into both cation and anion sites. Be is chosen as co-dopant for (Al, Mn)N and (Ga, Mn)N, and Cd (or C) for (In, Mn)N. Concentrations of co-dopants are chosen as a function of Mn concentration so that the volume distortion caused by Mn doping is reduced. It is found that, by hole co-doping, the ferromagnetism is more stabilized than that in the single doping case. The anti-ferromagnetic super-exchange interaction, which remains dominant for high Mn concentrations in (Al, Mn)N and (Ga, Mn)N due to the small lattice constant, is reduced by co-doping Be into both kinds of sites, resulting in a strong enhancement of T_C in the regime of high Mn-concentrations. Furthermore, as the 3d-partial density of states at the Fermi level gains its maxima, one can expect that T_C reaches its highest value.