Investigation on Electronic Structures and Magnetic Properties of (Mn, Ga) Co-doped SnO2
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The electronic structures and magnetic properties of (Mn, Ga) co-doped SnO2 are studied by the first-principles calculations in full-potential linearized augmented plane wave formalism within generalized gradient approximations. We found that the doped system favors the ferromagnetic state and room-temperature ferromagnetism can be expected in it. The origin of ferromagnetism can be attributed to p-d exchange interactions as Mn-O-Mn. Ga acts as acceptor in (Mn, Ga) co-doped SnO2 host and can donate one hole, increasing the carrier concentration and thus leading to a more stable ferromagnetic state. These results suggest a recipe obtaining promising dilute magnetic semiconductor by doping nonmagnetic elements in SnO2 matrix.
KeywordsFirst principles Dilute magnetic semiconductors Electronic structure SnO2
Computational resources have been provided by the Henan Polytechnic University high-performance grid computing platform.
This work was supported by the Key Projects of NSFC-Henan Joint Fund (U1704255), the National Natural Science Foundation of China (11804081), the Natural Science Foundation of Henan Province (182300410288), the Innovation Scientists and Technicians Troop Construction Projects of Henan Province (CXTD2017089), Science and Technology of Henan Province (182102210305), the Henan Postdoctoral Science Foundation (Lin’s), the Program for Innovative Research Team of Henan Polytechnic University (T2016-2), the Key Research Project for the Universities of Henan Province (19A140009), the Doctoral Foundation of Henan Polytechnic University (B2018-38), and the Open Project of Key Laboratory of Radio Frequency and Micro-Nano Electronics of Jiangsu Province (LRME201601).
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