Edge-driven transition in the surface structure of nanoscale silicon
- 15 May 1998
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 57 (19), 11923-11926
- https://doi.org/10.1103/physrevb.57.11923
Abstract
We present an ab initio exploration of the phenomena that might become important for free-standing structures of silicon as they are realized on the nanoscale. We find that not only surface effects, but also edge effects are important considerations in structures of dimensions nm. Specifically, for long nanoscale silicon bars, we find two competing low-energy reconstructions with a transition from one to the other as the cross section of the bar decreases. We predict that this size-dependent phase transition has a signature in the electronic structure of the bar but little effect on elastic properties.
Keywords
This publication has 19 references indexed in Scilit:
- Theory of silicon nanostructuresApplied Surface Science, 1996
- Energy gap of nanoscale Si rodsJournal of Applied Physics, 1996
- Absorption and emission of light in nanoscale silicon structuresPhysical Review Letters, 1994
- First-principles analysis of electronic states in silicon nanoscale quantum wiresPhysical Review B, 1993
- Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradientsReviews of Modern Physics, 1992
- Optical properties of porous silicon: A first-principles studyPhysical Review Letters, 1992
- Silicon quantum wire array fabrication by electrochemical and chemical dissolution of wafersApplied Physics Letters, 1990
- Microfabrication below 10 nmApplied Physics Letters, 1990
- Structural Phase Diagrams for the Surface of a Solid: A Total-Energy, Renormalization-Group ApproachPhysical Review Letters, 1983
- Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B, 1981