• 文献标题:   Engineering Magnetic Anisotropy of Rhenium Atom in Nitrogenized Divacancy of Graphene
  • 文献类型:   Article
  • 作  者:   LIU HL, JI GT, GE PJ, GE GX, YANG XD, ZHANG JL
  • 作者关键词:   density functional calculation, magnetic anisotropy, electronic propertie
  • 出版物名称:   NANOMATERIALS
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.3390/nano13050829
  • 出版年:   2023

▎ 摘  要

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(z)(2) and d(yz) of Re under charge injection. Our results show that Re@NDV is very promising in high-performance magnetic storage and spintronics devices.