Theoretical study of one-dimensional chains of metal atoms in nanotubes
- Department of Physics, University of California at Berkeley, Berkeley, California 94720 (United States)
Using first-principles total-energy pseudopotential calculations, we have studied the properties of chains of potassium and aluminum in nanotubes. For BN tubes, there is little interaction between the metal chains and the tubes, and the conductivity of these tubes is through carriers located at the inner part of the tube. In contrast, for small radius carbon nanotubes, there are two types of interactions: charge-transfer (dominant for alkali atoms) leading to strong ionic cohesion, and hybridization (for multivalent metal atoms) resulting in a smaller cohesion. For Al-atomic chains in carbon tubes, we show that both effects contribute. Electronic properties related to these confined atomic chains of metal are analyzed. {copyright} {ital 1996 The American Physical Society.}
- Research Organization:
- Lawrence Berkeley National Laboratory
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 278765
- Journal Information:
- Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 7 Vol. 53; ISSN PRBMDO; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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