Electronic Structure of Defects in Fcc-C22
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ABSTRACTClassical and ab-initio calculations were carried out on bulk defects and surfaces of the carbon allotrope Fcc-C22. The results revealed a number of possible defects with spin polarization and one with antiferromagnetic character. The surfaces were shown to be able to host magnetic polarization. Extrinsic light dopants (H and N) were shown to introduce spin polarization for small dopant concentration and to metallize the systems for large concentrations.
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