The melilite-type compound [formula omitted] (A = K, La) being a room temperature ferromagnetic semiconductor

Abstract

The seeking of room temperature ferromagnetic semiconductors, which take advantages of both the charge and spin degrees of freedom of electrons to realize a variety of functionalities in devices integrated with electronic, optical, and magnetic storage properties, has been a long-term goal of scientists and engineers. Here, by using the spin-polarized density functional theory calculations, we predict a new series of high temperature ferromagnetic semiconductors based on the melilite-type oxysulfide Sr2MnGe2S6O through hole (K) and electron (La) doping. Due to the lack of strong antiferromagnetic superexchange between Mn ions, the weak antiferromagnetic order in the parent compound Sr2MnGe2S6O can be suppressed easily by charge doping with either p-type or n-type carriers, giving rise to the expected ferromagnetic order. At a doping concentration of 25%, both the hole-doped and electron-doped compounds can achieve a Curie temperature (Tc) above 300 K. The underlying mechanism is analyzed. Our study provides an effective approach for exploring new types of high temperature ferromagnetic semiconductors.