Tunable magnetism in metal adsorbed fluorinated nanoporous graphene

Pankaj Kumar, Vinit Sharma, Fernando A. Reboredo, Li Ming Yang, Raghani Pushpa

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12 Scopus citations

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 μ B 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.

Original languageEnglish
Article number31841
JournalScientific Reports
Volume6
DOIs
StatePublished - Aug 24 2016

Funding

This research is supported by the Research Corporation's Cottrell College Science award (Grant No. 20234) and NSF CAREER award (DMR-1255584). We are thankful to the HPC center of Idaho National Laboratory for computational support where, most of the calculations are performed. Work by VS and FAR was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. VS acknowledges the XSEDE computational resource allocation number TG-DMR160051.

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