期刊
ACS NANO
卷 3, 期 5, 页码 1069-1076出版社
AMER CHEMICAL SOC
DOI: 10.1021/nn8008454
关键词
doping; electronic structure; fullerenes; nanotubes; conducting channels; correlated electron models; spintronics
类别
资金
- 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
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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