Determination of the hyperfine magnetic field in magnetic carbon-based materials: DFT calculations and NMR experiments

Abstract

The prospect of carbon-based magnetic materials is of immense fundamental and practical importance, and information on atomic-scale features is required for a better understanding of the mechanisms leading to carbon magnetism. Here we report the first direct detection of the microscopic magnetic field produced at (13)C nuclei in a ferromagnetic carbon material by zero-field nuclear magnetic resonance (NMR). Electronic structure calculations carried out in nanosized model systems with different classes of structural defects show a similar range of magnetic field values (18-21 T) for all investigated systems, in agreement with the NMR experiments. Our results are strong evidence of the intrinsic nature of defect-induced magnetism in magnetic carbons and establish the magnitude of the hyperfine magnetic field created in the neighbourhood of the defects that lead to magnetic order in these materials.

DOI: 10.1038/srep14761

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@inproceedings{Freitas2015DeterminationOT, title={Determination of the hyperfine magnetic field in magnetic carbon-based materials: DFT calculations and NMR experiments}, author={Jair C. C. Freitas and Wanderl{\~a} L Scopel and Wendel S. Paz and Leandro V. Bernardes and Francisco E. Cunha-Filho and Carlos Speglich and Fernando M. Araujo-Moreira and Damjan Pelc and Ton{\vc}i Cvitani{\'c} and Miroslav Po{\vz}ek}, booktitle={Scientific reports}, year={2015} }