First-principles studies of graphene antidot lattices on monolayer h-BN substrate

Zeng Xin Wei; Gui Bin Liu

doi:10.1016/j.physleta.2019.125944

First-principles studies of graphene antidot lattices on monolayer h-BN substrate

Zeng Xin Wei, Gui Bin Liu^*

^*Corresponding author for this work

School of Physics

Beijing Institute of Technology

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

The structures and electronic structures of hetero bilayers composed of graphene antidot lattice (GAL) on monolayer h-BN substrate are studied in first-principles method. Bond lengths, interlayer distances, flatness, biaxial strain effects, and effects of translating the GAL layer are studied and analyzed in detail. Results show that introducing a monolayer BN substrate makes the zero-bandgap 5×5 GAL open a bandgap up to 28 meV, while it makes the semiconducting 6×6 GAL keep its low-energy electronic structure almost intact except a small bandgap change by tens of meV at most. Our studies demonstrate that h-BN is a promising substrate for GAL.

Original language	English
Article number	125944
Journal	Physics Letters, Section A: General, Atomic and Solid State Physics
Volume	383
Issue number	32
DOIs	https://doi.org/10.1016/j.physleta.2019.125944
Publication status	Published - 18 Nov 2019

Keywords

Bandgap
Bilayer
First-principles
Graphene antidot lattice
h-BN

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10.1016/j.physleta.2019.125944

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title = "First-principles studies of graphene antidot lattices on monolayer h-BN substrate",

abstract = "The structures and electronic structures of hetero bilayers composed of graphene antidot lattice (GAL) on monolayer h-BN substrate are studied in first-principles method. Bond lengths, interlayer distances, flatness, biaxial strain effects, and effects of translating the GAL layer are studied and analyzed in detail. Results show that introducing a monolayer BN substrate makes the zero-bandgap 5×5 GAL open a bandgap up to 28 meV, while it makes the semiconducting 6×6 GAL keep its low-energy electronic structure almost intact except a small bandgap change by tens of meV at most. Our studies demonstrate that h-BN is a promising substrate for GAL.",

keywords = "Bandgap, Bilayer, First-principles, Graphene antidot lattice, h-BN",

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doi = "10.1016/j.physleta.2019.125944",

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T1 - First-principles studies of graphene antidot lattices on monolayer h-BN substrate

AU - Wei, Zeng Xin

AU - Liu, Gui Bin

PY - 2019/11/18

Y1 - 2019/11/18

N2 - The structures and electronic structures of hetero bilayers composed of graphene antidot lattice (GAL) on monolayer h-BN substrate are studied in first-principles method. Bond lengths, interlayer distances, flatness, biaxial strain effects, and effects of translating the GAL layer are studied and analyzed in detail. Results show that introducing a monolayer BN substrate makes the zero-bandgap 5×5 GAL open a bandgap up to 28 meV, while it makes the semiconducting 6×6 GAL keep its low-energy electronic structure almost intact except a small bandgap change by tens of meV at most. Our studies demonstrate that h-BN is a promising substrate for GAL.

AB - The structures and electronic structures of hetero bilayers composed of graphene antidot lattice (GAL) on monolayer h-BN substrate are studied in first-principles method. Bond lengths, interlayer distances, flatness, biaxial strain effects, and effects of translating the GAL layer are studied and analyzed in detail. Results show that introducing a monolayer BN substrate makes the zero-bandgap 5×5 GAL open a bandgap up to 28 meV, while it makes the semiconducting 6×6 GAL keep its low-energy electronic structure almost intact except a small bandgap change by tens of meV at most. Our studies demonstrate that h-BN is a promising substrate for GAL.

KW - Bandgap

KW - Bilayer

KW - First-principles

KW - Graphene antidot lattice

KW - h-BN

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M3 - Article

AN - SCOPUS:85072024924

SN - 0375-9601

VL - 383

JO - Physics Letters, Section A: General, Atomic and Solid State Physics

JF - Physics Letters, Section A: General, Atomic and Solid State Physics

IS - 32

M1 - 125944

ER -

First-principles studies of graphene antidot lattices on monolayer h-BN substrate

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