Graphene-like bilayer hexagonal silicon polymorph

Jaeil Bai; Hideki Tanaka; Xiao Cheng Zeng

doi:10.1007/s12274-010-0032-6

Graphene-like bilayer hexagonal silicon polymorph

Jaeil Bai
, Hideki Tanaka
, Xiao Cheng Zeng

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

54 Citations (Scopus)

38 Downloads (CityUHK Scholars)

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. © 2010 Tsinghua University Press and Springer-Verlag Berlin Heidelberg.

Original language	English
Pages (from-to)	694-700
Journal	Nano Research
Volume	3
Issue number	10
DOIs	https://doi.org/10.1007/s12274-010-0032-6
Publication status	Published - 2010
Externally published	Yes

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Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

Research Keywords

Bilayer hexagonal silicon
semimetal
slit pore
two-dimensional polymorph

Publisher's Copyright Statement

This full text is made available under CC-BY-NC 2.0. https://creativecommons.org/licenses/by-nc/2.0/

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title = "Graphene-like bilayer hexagonal silicon polymorph",

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. {\textcopyright} 2010 Tsinghua University Press and Springer-Verlag Berlin Heidelberg.",

keywords = "Bilayer hexagonal silicon, semimetal, slit pore, two-dimensional polymorph",

author = "Jaeil Bai and Hideki Tanaka and Zeng, \{Xiao Cheng\}",

note = "Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].",

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doi = "10.1007/s12274-010-0032-6",

language = "English",

volume = "3",

pages = "694--700",

journal = "Nano Research",

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TY - JOUR

T1 - Graphene-like bilayer hexagonal silicon polymorph

AU - Bai, Jaeil

AU - Tanaka, Hideki

AU - Zeng, Xiao Cheng

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

PY - 2010

Y1 - 2010

N2 - 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. © 2010 Tsinghua University Press and Springer-Verlag Berlin Heidelberg.

AB - 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. © 2010 Tsinghua University Press and Springer-Verlag Berlin Heidelberg.

KW - Bilayer hexagonal silicon

KW - semimetal

KW - slit pore

KW - two-dimensional polymorph

UR - https://www.scopus.com/pages/publications/77957889065

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-77957889065&origin=recordpage

U2 - 10.1007/s12274-010-0032-6

DO - 10.1007/s12274-010-0032-6

M3 - RGC 21 - Publication in refereed journal

SN - 1998-0124

VL - 3

SP - 694

EP - 700

JO - Nano Research

JF - Nano Research

IS - 10

ER -

Graphene-like bilayer hexagonal silicon polymorph

Abstract

Bibliographical note

Research Keywords

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