Engineering Magnetic Anisotropy of Rhenium Atom in Nitrogenized Divacancy of Graphene

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 magnitu...

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Published inNanomaterials (Basel, Switzerland) Vol. 13; no. 5; p. 829
Main Authors Liu, Honglei, Ji, Guangtian, Ge, Pingji, Ge, Guixian, Yang, Xiaodong, Zhang, Jinli
Format Journal Article
LanguageEnglish
Published Switzerland MDPI AG 23.02.2023
MDPI
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Summary: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 d and d of Re under charge injection. Our results show that Re@NDV is very promising in high-performance magnetic storage and spintronics devices.
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ISSN:2079-4991
2079-4991
DOI:10.3390/nano13050829