• 文献标题:   Magnetic anisotropy energies and metal-insulator transitions in monolayers of a-RuCl3 and OsCl3 on graphene
  • 文献类型:   Article
  • 作  者:   SOUZA PH, DEUS DPD, BRITO WH, MIWA RH
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1103/PhysRevB.106.155118
  • 出版年:   2022

▎ 摘  要

Transition metal (TM) trichlorides, with 4d or 5d electrons, are materials at the forefront of recent studies about the interplay of spin-orbit coupling (SOC) and strong Coulomb interactions. Within our first-principles calculations (DFT + U + SOC) we study the effects of graphene on the electronic and magnetic properties of the monolayers (MLs) of alpha-RuCl3 and OsCl3. Despite the spatially inhomogeneous n-type doping induced by graphene, we show that the occupancy of Ru-4d (Os-5d) bands of MLs of alpha-RuCl3(OsCl3) can be tuned through external electric fields and allows the control of (i) metal-insulator transitions and (ii) the magnetic easy-axis and anisotropy energies. Our findings point toward the tuning of electronic and magnetic properties of TM trichloride MLs by using graphene and external electronic fields.