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First-Principles Study on Electron-Conduction Properties of C$_{60}$ Chains | | Tomoya Ono
; Kikuji Hirose
; | | Date: |
21 Jun 2006 | | Subject: | Materials Science | | Abstract: | The electron-conduction properties of fullerene chains are examined by first-principles calculations based on the density functional theory. The conductivity of the C$_{60}$ dimer is low owing to the constraint of the junction of the molecules on electron conduction, whereas the C$_{60}$ monomer exhibits a conductance of $sim$ 1 G$_0$. One of the three degenerate $t_{u1}$ states of C$_{60}$ is relevant to conduction and the contributions of the others are small. In addition, we found a more interesting result that the conductance of the fullerene chain is drastically increased by encapsuling metal atoms into cages. | | Source: | arXiv, cond-mat/0606541 | | Services: | Forum | Review | PDF | Favorites | |
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