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Abstract
We investigated possible sources of defect-induced magnetic ordering in carbon-irradiated graphite from first-principles calculations. Among candidate structures with interstitial defect configurations that could be generated during carbon irradiation processes, two metastable configurations with finite magnetic moments were identified. They are coupled ferromagnetically to their neighboring defects, thereby enabling them to contribute to the observed macroscopic magnetic ordering. The Ruderman-Kittel-Kasuya-Yosida interaction is considered as a possible mechanism for the ferromagnetic ordering.
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