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Nano Research

, Volume 3, Issue 10, pp 694–700

First Online: 21 September 2010Received: 18 June 2010Revised: 03 August 2010Accepted: 09 August 2010DOI: 10.1007-s12274-010-0032-6

Cite this article as: Bai, J., Tanaka, H. & Zeng, X.C. Nano Res. 2010 3: 694. doi:10.1007-s12274-010-0032-6

Abstract

We present molecular dynamics simulation evidence for a freezing transition from liquid silicon to quasi-two-dimensional quasi-2D bilayer silicon in a slit nanopore. This new quasi-2D polymorph of silicon exhibits a bilayer hexagonal structure in which the covalent coordination number of every silicon atom is four. Quantum molecular dynamics simulations show that the stand-alone bilayer silicon without the confinement is still stable at 400 K. Electronic band-structure calculations suggest that the bilayer hexagonal silicon is a quasi-2D semimetal, similar to a graphene monolayer, but with an indirect zero band gap.Open image in new window

KeywordsBilayer hexagonal silicon slit pore semimetal two-dimensional polymorph This article is published with open access at Springerlink.com

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Autor: Jaeil Bai - Hideki Tanaka - Xiao Cheng Zeng

Fuente: https://link.springer.com/







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