Abstract
Developing nanostructures with tunable magnetic states are of utmost interest in data storage and
quantum information devices. Here, using density functional theory, we explore the effect of
thermo-dynamic stability of tungsten (W) chemisorbed on tri-vacancy fluorinated (TVF)
graphene over a wide range of experimentally accessible conditions. Our study suggests that the
defect engineering and external electric field both can be used as a probe to control the magnetic
states and magnetic properties of the system. We find that chemisorbed W at TVF graphene
exhibit a large magnetic moment of 7 μB/supercell along with high in-plane magneto-crystalline
anisotropy energy (MAE) of 17 meV/supercell. At higher electric field (> 5 V/nm) a spin crossover
is observed accompanied by a change in the MAE. The ascribed change in spin-configuration
is believed to be due to the charge transfer and change in the occupation of states of 5d orbitals of
W. Our predictions open a promising way towards the manipulation of magnetic properties for
graphene based spintronic and non-volatile memory devices.
