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Updated: May 11, 2026
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Published on: July 3, 2015
Structure and magnetism of disordered carbon
M A Akhukov1, M I Katsnelson, A Fasolino
1Radboud University Nijmegen/Institute for Molecules and Materials, Nijmegen, The Netherlands.
Summary
Researchers explored disordered carbon structures for ferromagnetism. A small percentage exhibited magnetic moments, suggesting potential for novel magnetic materials.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Computational Chemistry
Background:
- Ferromagnetism observed in carbon foams motivates further investigation.
- Understanding the structural basis of magnetism in disordered carbon is crucial.
Purpose of the Study:
- To conduct a large-scale search for (meta)stable disordered elemental carbon structures.
- To identify carbon structures exhibiting magnetic properties.
Main Methods:
- Employed a generate and test approach for structure discovery.
- Utilized density functional theory (DFT) with SIESTA for structural optimization and electronic property calculations.
- Analyzed electronic spectra and spin densities.
Main Results:
- Optimized 24,000 disordered carbon structures.
- Approximately 1% of the structures displayed magnetic moments.
- Identified potential structural motifs, like three-fold coordinated atoms adjacent to four-fold coordinated atoms, associated with magnetism.
Conclusions:
- Disordered carbon structures can possess magnetic moments.
- Further research is needed to fully clarify the structure-magnetism relationship.
- Promising candidate structures for further study were identified.
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