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 electr...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 engi- neers. 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 Sr2MnGe2S60 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 Sr2MnGe2S60 can be sup- pressed easily by charge doping with either p-type magnetic order. At a doping concentration of or n-type carriers, giving rise to the expected ferro- 25%, both the hole-doped and electron-doped compounds can achieve a Curie temperature （To） above 300 K. The underlying mechanism is analyzed. Our study provides an effective approach for exploring new types of high temperature ferromagnetic semiconductors.展开更多
基金supported by the National Key Research and Development Program of China(2017YFA0302903)the National Natural Science Foundation of China(11774422 and 11774424)
文摘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 engi- neers. 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 Sr2MnGe2S60 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 Sr2MnGe2S60 can be sup- pressed easily by charge doping with either p-type magnetic order. At a doping concentration of or n-type carriers, giving rise to the expected ferro- 25%, both the hole-doped and electron-doped compounds can achieve a Curie temperature （To） above 300 K. The underlying mechanism is analyzed. Our study provides an effective approach for exploring new types of high temperature ferromagnetic semiconductors.
