Density Functional Simulation of a Breaking Nanowire
| Autor: | A. Nakamura, Mads Brandbyge, Karsten Wedel Jacobsen, Lars Bruno Hansen |
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| Rok vydání: | 1999 |
| Předmět: |
Materials science
Condensed matter physics PSEUDOPOTENTIALS CONDUCTANCE QUANTIZATION Nanowire General Physics and Astronomy Conductance MECHANICAL-PROPERTIES Condensed Matter::Mesoscopic Systems and Quantum Hall Effect Functional simulation TRANSPORT MODEL METALLIC CONTACTS Physics::Atomic Physics Structural deformation Connection (algebraic framework) Elongation Deformation (engineering) |
| Zdroj: | Nakamura, A, Brandbyge, M, Hansen, L B & Jacobsen, K W 1999, ' Density Functional Simulation of a Breaking Nanowire ', Physical Review Letters, vol. 82, no. 7, pp. 1538-1541 . https://doi.org/10.1103/PhysRevLett.82.1538 ResearcherID |
| ISSN: | 1079-7114 0031-9007 |
| Popis: | We study the deformation and breaking of an atomic-sized sodium wire using density functional simulations. The wire deforms through sudden atomic rearrangements and smoother atomic displacements. The conductance of the wire exhibits plateaus at integer values in units of ${2e}^{2}/h$ corresponding to a specific number of eigenchannels. The transitions between plateaus can be abrupt in connection with structural rearrangements or extend over a few \AA{} of elongation. The interplay between conductance modes and structural deformation is discussed by means of the eigenchannel transmission probabilities. |
| Databáze: | OpenAIRE |
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