Point defects in two-dimensional BeO monolayer: a first-principles study on electronic and magnetic properties-Reference-Cited by-同舟云学术

Point defects in two-dimensional BeO monolayer: a first-principles study on electronic and magnetic properties

Published:2021 Issue:42 Volume:23 Page:24301-24312
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bafekry A.¹,Faraji M.²^ORCID,Karbasizadeh S.³^ORCID,Khatibani A. Bagheri⁴^ORCID,Ziabari A. Abdolahzadeh⁴,Gogova D.⁵,Ghergherehchi M.⁶

Affiliation:

1. Department of Radiation Application, Shahid Beheshti University, 19839 69411 Tehran, Iran

2. TOBB University of Economics and Technology, Sogutozu Caddesi No 43 Sogutozu, 06560, Ankara, Turkey

3. Department of Physics, Isfahan University of Technology, Isfahan, 84156-83111, Iran

4. Nano Research Lab, Lahijan Branch, Islamic Azad University, Lahijan, Iran

5. Central Laboratory of Solar Energy and New Energy Sources at the Bulg. Acad. Sci., 72 Tzarigtadsko Chaussee Blvd., 1784 Sofia, Bulgaria

6. Department of Electrical and Computer Engineering, Sungkyunkwan University, 16419 Suwon, Korea

Abstract

Motivated by the fabrication of 2D layered BeO, the effect of atom adsorption, substitutional doping and vacancy defects on the electronic and magnetic properties of BeO monolayer have been systematically studied by first-principles calculations.

Funder

National Research Foundation of Korea

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP03421A

Reference60 articles.

1. Ab initio calculations of electronic and optical properties of BeO nanosheet

2. Beryllium Oxide Nanotubes and their Connection to the Flat Monolayer

3. Electronic structure and properties of beryllium oxide

4. Electronic and Magnetic Properties and Structural Stability of BeO Sheet and Nanoribbons

5. Theoretical studies on the mechanical and electronic properties of 2D and 3D structures of Beryllium-Oxide graphene and graphene nanobud

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