Year: 1998
Type: article
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 $\ensuremath{\sim}3$ 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.
Authors: Sohrab Ismail-Beigi, Tomás Arias
Institution: Massachusetts Institute of Technology
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W1969939832