Graphene-like bilayer hexagonal silicon polymorph

Jaeil Bai, Hideki Tanaka, Xiao Cheng Zeng

Research output: Contribution to journalArticle

44 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)694-700
Number of pages7
JournalNano Research
Volume3
Issue number10
DOIs
Publication statusPublished - 2010

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Keywords

  • Bilayer hexagonal silicon
  • semimetal
  • slit pore
  • two-dimensional polymorph

ASJC Scopus subject areas

  • Electrical and Electronic Engineering
  • Materials Science(all)

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