Mechanics of silicon nanowires: size-dependent elasticity from first principles
- 1 January 2008
- journal article
- research article
- Published by Taylor & Francis Ltd in Molecular Simulation
- Vol. 34 (1), 1-8
- https://doi.org/10.1080/08927020701730435
Abstract
We discuss size-dependent elastic properties in the context of our recent work on the mechanics of silicon nanowires. The results are based on first-principles density functional theory calculations. We focus especially on the size dependence of the Young's modulus, but also comment on the size dependence of the residual stress and the equilibrium length of the hydrogen-passivated Si nanowires. We compare these results to prior results from classical molecular dynamics based on empirical potentials.Keywords
This publication has 33 references indexed in Scilit:
- First-principles calculation of mechanical properties of Si⟨001⟩ nanowires and comparison to nanomechanical theoryPhysical Review B, 2007
- First-principles study of the Young’s modulus of Si ⟨001⟩ nanowiresPhysical Review B, 2007
- Size-dependent elasticity of nanowires: Nonlinear effectsPhysical Review B, 2005
- Superconducting Qubit Storage and Entanglement with Nanomechanical ResonatorsPhysical Review Letters, 2004
- Quantum electromechanical systemsPhysics Reports, 2004
- Coarse-Grained Molecular Dynamics for Computer Modeling of Nanomechanical SystemsInternational Journal for Multiscale Computational Engineering, 2004
- Size-dependent elastic properties of nanosized structural elementsNanotechnology, 2000
- Direct atomistic simulation of quartz crystal oscillators: Bulk properties and nanoscale devicesPhysical Review B, 1997
- Fabrication of high frequency nanometer scale mechanical resonators from bulk Si crystalsApplied Physics Letters, 1996
- Surface stress and the chemical equilibrium of small crystals—I. the case of the isotropic surfaceActa Metallurgica, 1980