title: Tunable magnetism in metal adsorbed fluorinated nanoporous graphene.
abstract: Developing nanostructures with tunable magnetic states is crucial for designing novel data storage and quantum information devices. Using density functional theory, we investigate the thermodynamic stability and magnetic properties of tungsten adsorbed tri-vacancy fluorinated (TVF) graphene. We demonstrate a strong structure-property relationship and its response to external stimuli via defect engineering in graphene-based materials. Complex interplay between defect states and the chemisorbed atom results in a large magnetic moment of 7 μB along with high in-plane magneto-crystalline anisotropy energy (MAE) of 17 meV. Under the influence of electric field, spin crossover effect accompanied by a change in the MAE is observed. The ascribed change in spin-configuration is caused by the modification of exchange coupling between defect states and a change in the occupation of d-orbitals of the metal complex. Our predictions open a promising way towards controlling the magnetic properties in graphene based spintronic and non-volatile memory devices.
authors.affiliation: Department of Physics, Boise State University, Boise, ID 83725, USA.
authors.forename: Pankaj
authors.initials: P
authors.lastname: Kumar
authors.affiliation: Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: Vinit
authors.initials: V
authors.lastname: Sharma
authors.affiliation: Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: Fernando A
authors.initials: FA
authors.lastname: Reboredo
authors.affiliation: School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074, China.
authors.forename: Li-Ming
authors.initials: LM
authors.lastname: Yang
authors.affiliation: Department of Physics, Boise State University, Boise, ID 83725, USA.
authors.forename: Raghani
authors.initials: R
authors.lastname: Pushpa