Interaction of two symmetric monovacancy defects in graphene

Wen Yan Xu; Li Zhi Zhang; Li Huang; Yan De Que; Ye Liang Wang; Xiao Lin; Shi Xuan Du

doi:10.1088/1674-1056/28/4/046801

Interaction of two symmetric monovacancy defects in graphene

Wen Yan Xu, Li Zhi Zhang, Li Huang, Yan De Que, Ye Liang Wang, Xiao Lin, Shi Xuan Du^*

^*Corresponding author for this work

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

3 Citations (Scopus)

Abstract

We investigate the interactions between two symmetric monovacancy defects in graphene grown on Ru (0001) after silicon intercalation by combining first-principles calculations with scanning tunneling microscopy (STM). First-principles calculations based on free-standing graphene show that the interaction is weak and no scattering pattern is observed when the two vacancies are located in the same sublattice of graphene, no matter how close they are, except that they are next to each other. For the two vacancies in different sublattices of graphene, the interaction strongly influences the scattering and new patterns' emerge, which are determined by the distance between two vacancies. Further experiments on silicon intercalated graphene epitaxially grown on Ru (0001) shows that the experiment results are consistent with the simulated STM images based on free-standing graphene, suggesting that a single layer of silicon is good enough to decouple the strong interaction between graphene and the Ru (0001) substrate.

Original language	English
Article number	046801
Journal	Chinese Physics B
Volume	28
Issue number	4
DOIs	https://doi.org/10.1088/1674-1056/28/4/046801
Publication status	Published - 2019
Externally published	Yes

Keywords

Density functional theory
Grapheme
Monovacancy defect
STM

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10.1088/1674-1056/28/4/046801

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title = "Interaction of two symmetric monovacancy defects in graphene",

abstract = "We investigate the interactions between two symmetric monovacancy defects in graphene grown on Ru (0001) after silicon intercalation by combining first-principles calculations with scanning tunneling microscopy (STM). First-principles calculations based on free-standing graphene show that the interaction is weak and no scattering pattern is observed when the two vacancies are located in the same sublattice of graphene, no matter how close they are, except that they are next to each other. For the two vacancies in different sublattices of graphene, the interaction strongly influences the scattering and new patterns' emerge, which are determined by the distance between two vacancies. Further experiments on silicon intercalated graphene epitaxially grown on Ru (0001) shows that the experiment results are consistent with the simulated STM images based on free-standing graphene, suggesting that a single layer of silicon is good enough to decouple the strong interaction between graphene and the Ru (0001) substrate.",

keywords = "Density functional theory, Grapheme, Monovacancy defect, STM",

author = "Xu, {Wen Yan} and Zhang, {Li Zhi} and Li Huang and Que, {Yan De} and Wang, {Ye Liang} and Xiao Lin and Du, {Shi Xuan}",

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T1 - Interaction of two symmetric monovacancy defects in graphene

AU - Xu, Wen Yan

AU - Zhang, Li Zhi

AU - Huang, Li

AU - Que, Yan De

AU - Wang, Ye Liang

AU - Lin, Xiao

AU - Du, Shi Xuan

PY - 2019

Y1 - 2019

N2 - We investigate the interactions between two symmetric monovacancy defects in graphene grown on Ru (0001) after silicon intercalation by combining first-principles calculations with scanning tunneling microscopy (STM). First-principles calculations based on free-standing graphene show that the interaction is weak and no scattering pattern is observed when the two vacancies are located in the same sublattice of graphene, no matter how close they are, except that they are next to each other. For the two vacancies in different sublattices of graphene, the interaction strongly influences the scattering and new patterns' emerge, which are determined by the distance between two vacancies. Further experiments on silicon intercalated graphene epitaxially grown on Ru (0001) shows that the experiment results are consistent with the simulated STM images based on free-standing graphene, suggesting that a single layer of silicon is good enough to decouple the strong interaction between graphene and the Ru (0001) substrate.

AB - We investigate the interactions between two symmetric monovacancy defects in graphene grown on Ru (0001) after silicon intercalation by combining first-principles calculations with scanning tunneling microscopy (STM). First-principles calculations based on free-standing graphene show that the interaction is weak and no scattering pattern is observed when the two vacancies are located in the same sublattice of graphene, no matter how close they are, except that they are next to each other. For the two vacancies in different sublattices of graphene, the interaction strongly influences the scattering and new patterns' emerge, which are determined by the distance between two vacancies. Further experiments on silicon intercalated graphene epitaxially grown on Ru (0001) shows that the experiment results are consistent with the simulated STM images based on free-standing graphene, suggesting that a single layer of silicon is good enough to decouple the strong interaction between graphene and the Ru (0001) substrate.

KW - Density functional theory

KW - Grapheme

KW - Monovacancy defect

KW - STM

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JO - Chinese Physics B

JF - Chinese Physics B

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Interaction of two symmetric monovacancy defects in graphene

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Keywords

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