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Persistent URL http://purl.org/net/epubs/work/50613
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Record Id 50613
Title Effects of doping on electronic structure and correlations in carbon peapods
Abstract Sc@C-82 peapods, which form encapsulated spin-1/2 antiferromagnetic chains under doping with electrons or holes are investigated using hybrid density functional theory. The narrow fullerene bands become shifted relative to nanotube bands resulting in charge transfer and conducting channels along both the fullerene chain and the nanotube. This is accompanied by a reduction in the magnetic moments on the fullerenes, consistent with a 1D Hubbard-Anderson model description.
Organisation CSE , STFC
Keywords fullerenes , Materials , electronic structure , correlated electron models , nanotube , doping
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Language English (EN)
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Journal Article ACS Nano 3, no. 5 (2009): 1069-1076. doi:10.1021/nn8008454 2009