Graphene-like bilayer hexagonal silicon polymorph

Jaeil Bai, Hideki Tanaka, Xiao Cheng Zeng

    Research output: Contribution to journalArticlepeer-review

    46 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

    Keywords

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

    ASJC Scopus subject areas

    • Materials Science(all)
    • Electrical and Electronic Engineering

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