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^*

^*此作品的通讯作者

物理学院

Beijing Institute of Technology

科研成果: 期刊稿件 › 文章 › 同行评审

1 引用（Scopus）

摘要

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.

源语言	英语
文章编号	125944
期刊	Physics Letters, Section A: General, Atomic and Solid State Physics
卷	383
期	32
DOI	https://doi.org/10.1016/j.physleta.2019.125944
出版状态	已出版 - 18 11月 2019

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Wei, Z. X., & Liu, G. B. (2019). First-principles studies of graphene antidot lattices on monolayer h-BN substrate. Physics Letters, Section A: General, Atomic and Solid State Physics, 383(32), 文章 125944. https://doi.org/10.1016/j.physleta.2019.125944

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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",

author = "Wei, {Zeng Xin} and Liu, {Gui Bin}",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

year = "2019",

month = nov,

day = "18",

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

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AU - Liu, Gui Bin

PY - 2019/11/18

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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.

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

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