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Electronic Structure of Defects in Fcc-C22

Published online by Cambridge University Press:  26 February 2011

Helder Sousa Domingos
Helder Sousa Domingos*
Affiliation:
hdomingos@inesc-mn.pt, INESC-MN, Micro and nanotechnologies, Rua Alves Redol 9, Lisbon, 1000-029, Portugal, +351-21-3100237, +351-21-3145843
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Abstract

Classical 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.

Keywords

magneticcluster assemblysimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 965: Symposium S – Organic Electronics – Materials, Devices and Applications , 2006 , 0965-S09-48
Copyright
Copyright © Materials Research Society 2007

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References

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