Engineering Magnetic Anisotropy of Rhenium Atom in Nitrogenized Divacancy of Graphene
Honglei Liu,
Guangtian Ji,
Pingji Ge,
Guixian Ge,
Xiaodong Yang,
Jinli Zhang
Affiliations
Honglei Liu
Key Laboratory for Green Processing of Chemical Engineering of Xinjiang Bingtuan, School of Chemistry and Chemical Engineering, Shihezi University, Shihezi 832003, China
Guangtian Ji
Xinjiang Production & Construction Corps Key Laboratory of Advanced Energy Storage Materials and Technology and Department of Physics, College of Science, Shihezi University, Shihezi 832003, China
Pingji Ge
Xinjiang Production & Construction Corps Key Laboratory of Advanced Energy Storage Materials and Technology and Department of Physics, College of Science, Shihezi University, Shihezi 832003, China
Guixian Ge
Xinjiang Production & Construction Corps Key Laboratory of Advanced Energy Storage Materials and Technology and Department of Physics, College of Science, Shihezi University, Shihezi 832003, China
Xiaodong Yang
Xinjiang Production & Construction Corps Key Laboratory of Advanced Energy Storage Materials and Technology and Department of Physics, College of Science, Shihezi University, Shihezi 832003, China
Jinli Zhang
Key Laboratory for Green Processing of Chemical Engineering of Xinjiang Bingtuan, School of Chemistry and Chemical Engineering, Shihezi University, Shihezi 832003, China
The effects of charging on the magnetic anisotropy energy (MAE) of rhenium atom in nitrogenized-divacancy graphene (Re@NDV) are investigated using density functional theory (DFT) calculations. High-stability and large MAE of 71.2 meV are found in Re@NDV. The more exciting finding is that the magnitude of MAE of a system can be tuned by charge injection. Moreover, the easy magnetization direction of a system may also be controlled by charge injection. The controllable MAE of a system is attributed to the critical variation in dz2 and dyz of Re under charge injection. Our results show that Re@NDV is very promising in high-performance magnetic storage and spintronics devices.
