Journal
ACS NANO
Volume 3, Issue 5, Pages 1069-1076Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn8008454
Keywords
doping; electronic structure; fullerenes; nanotubes; conducting channels; correlated electron models; spintronics
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Funding
- Clarendon Fund
- St. Anne's College, Oxford
- UK MOD
- Wolfson College, Oxford
- EPSRC [GR/S15808/01]
- Engineering and Physical Sciences Research Council [GR/S15808/01] Funding Source: researchfish
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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.
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