Chiral single-wall gold nanotubes
Based on first-principles calculations we show that gold atoms can form both freestanding and tip-suspended chiral single-wall nanotubes composed of helical atomic strands. The freestanding, infinite (5,5) tube is found to be energetically the most favorable. While energetically less favorable, the...
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| Veröffentlicht in: | Physical review letters 2004-11, Vol.93 (19), p.196807.1-196807.4, Article 196807 |
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| container_end_page | 196807.4 |
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| container_issue | 19 |
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| container_title | Physical review letters |
| container_volume | 93 |
| creator | SENGER, R. T DAG, S CIRACI, S |
| description | Based on first-principles calculations we show that gold atoms can form both freestanding and tip-suspended chiral single-wall nanotubes composed of helical atomic strands. The freestanding, infinite (5,5) tube is found to be energetically the most favorable. While energetically less favorable, the experimentally observed (5,3) tube stretching between two tips corresponds to a local minimum in the string tension. Similarly, the (4,3) tube is predicted as a favorable structure yet to be observed experimentally. Analysis of band structure, charge density, and quantum ballistic conductance suggests that the current on these wires is less chiral than expected, and there is no direct correlation between the numbers of conduction channels and helical strands. |
| doi_str_mv | 10.1103/PhysRevLett.93.196807 |
| format | Article |
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| subjects | Clusters, nanoparticles, and nanocrystalline materials Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic transport in multilayers, nanoscale materials and structures Exact sciences and technology Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals Nanotubes Physics Structure of solids and liquids crystallography |
| title | Chiral single-wall gold nanotubes |
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