Spin-Resolved Visible Optical Spectra and Electronic Characteristics of Defect-Mediated Hexagonal Boron Nitride Monolayer

Spin-Resolved Visible Optical Spectra and Electronic Characteristics of Defect-Mediated Hexagonal Boron Nitride Monolayer

Defect-mediated hexagonal boron nitride (hBN) supercells display visible optical spectra and electronic characteristics. The defects in the hBN supercells included atomic vacancy, antisite, antisite vacancy, and the substitution of a foreign atom for boron or nitrogen. The hBN supercells with V<s...

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Bibliographic Details
Main Authors: Sheng Yu, Tikaram Neupane, Bagher Tabibi, Qiliang Li, Felix Jaetae Seo
Format: Article
Language:English
Published: MDPI AG 2022-06-01
Series:Crystals
Subjects:
defect
atomic layer
density functional theory (DFT)
Online Access:https://www.mdpi.com/2073-4352/12/7/906

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