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Graphene sheet with periodic vacancy: A first principles study

Authors
  • Maikhuri, Deepti1
  • Parkash, Jai1
  • Abbas, Haider1
  • 1 Manav Rachna University, India , (India)
Type
Published Article
Journal
Physica Scripta
Publisher
IOP Publishing
Publication Date
Dec 16, 2021
Volume
96
Issue
12
Identifiers
DOI: 10.1088/1402-4896/ac40d7
Source
ioppublishing
Keywords
Disciplines
  • Condensed matter: electronic structure, electrical, magnetic and optical properties
License
Unknown

Abstract

We present a comprehensive first-principles study of the electronic structure of graphene sheet with periodic vacancy. We report the structural, electronic, and magnetic properties of the graphene sheet with periodic vacancy that possess 48 C & 28 H atoms. Computational analysis based on density functional theory predicts that the periodic vacancy can modulate the properties of graphene sheet. Results show that periodic vacancies lead to the manipulation of band gap & could be utilized to tailor the electronic properties of the sheet. Also, it is found that, the graphene sheet with periodic vacancy is non-magnetic in nature.

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