First Principles Investigation of the Effect of Vanadium Doping on Electronic Structure, Magnetic, and Optical Properties of Graphene–Boron Nitride Heterostructure

First Principles Investigation of the Effect of Vanadium Doping on Electronic Structure, Magnetic, and Optical Properties of Graphene–Boron Nitride Heterostructure

We investigate the effect of vanadium (V) doping on the electronic, magnetic, and optical properties of the graphene/hexagonal boron nitride (G/h-BN) heterostructure using spin-polarized density functional theory (DFT). Defect formation energy calculations show that the V atom prefers substituting b...

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Bibliographic Details
Main Authors: Berhanu Aymalo Shalisho, Markos Meskele Shanko, Sintayehu Mekonnen Hailemariam
Format: Article
Language:English
Published: Wiley 2025-01-01
Series:Advances in Condensed Matter Physics
Online Access:http://dx.doi.org/10.1155/acmp/4219055
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