Research paperComputational DFTComputed PhononExceptionally strong coupling of defect emission in hexagonal boron nitride to stacking sequencesSong Li, Anton Pershin, Pei Li, Adam GaliarXiv·2023·10.1038/s41699-024-00455-y·arXiv:2307.10401AbstractTheoretical study of stacking-sequence effects on defect emission in hexagonal boron nitride. The paper compares the stability and electronic structure of bilayer hBN polytypes and examines how stacking modifies defect zero-phonon lines, photoluminescence sidebands, Huang-Rhys factors, and radiative lifetimes for ultraviolet single-photon emitters, especially carbon-related defects.Read more
Pristine AA' bilayer hBN supercell used for stability and band-gap comparison.2 characterizations2 properties2 figuresSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
Pristine AB bilayer hBN supercell used for stability and band-gap comparison.2 propertiesSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
Pristine AB' bilayer hBN supercell used for stability and band-gap comparison.1 characterization2 properties1 figureSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
2C defect in AA' stacking used for defect-emission calculations.2 characterizations2 properties2 figuresSimulated Supercell DfthBNStudied Materialcarbon defect in hBN (2C defect)Studied MaterialhBNStudied MaterialExpand
2C defect in AB stacking, including AB₁/AB₂ configurations used for optical-property comparison.1 characterization8 properties1 figureSimulated Supercell DfthBNStudied Materialcarbon defect in hBN (2C defect)Studied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AA' stacking used in the comparative defect set.2 characterizations1 property2 figuresSimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AB stacking used in the comparative defect set.1 propertySimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AB' stacking used in the comparative defect set.1 characterization1 property1 figureSimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Research paperComputational DFTComputed PhononExceptionally strong coupling of defect emission in hexagonal boron nitride to stacking sequencesSong Li, Anton Pershin, Pei Li, Adam GaliarXiv·2023·10.1038/s41699-024-00455-y·arXiv:2307.10401AbstractTheoretical study of stacking-sequence effects on defect emission in hexagonal boron nitride. The paper compares the stability and electronic structure of bilayer hBN polytypes and examines how stacking modifies defect zero-phonon lines, photoluminescence sidebands, Huang-Rhys factors, and radiative lifetimes for ultraviolet single-photon emitters, especially carbon-related defects.Read more
Pristine AA' bilayer hBN supercell used for stability and band-gap comparison.2 characterizations2 properties2 figuresSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
Pristine AB bilayer hBN supercell used for stability and band-gap comparison.2 propertiesSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
Pristine AB' bilayer hBN supercell used for stability and band-gap comparison.1 characterization2 properties1 figureSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
2C defect in AA' stacking used for defect-emission calculations.2 characterizations2 properties2 figuresSimulated Supercell DfthBNStudied Materialcarbon defect in hBN (2C defect)Studied MaterialhBNStudied MaterialExpand
2C defect in AB stacking, including AB₁/AB₂ configurations used for optical-property comparison.1 characterization8 properties1 figureSimulated Supercell DfthBNStudied Materialcarbon defect in hBN (2C defect)Studied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AA' stacking used in the comparative defect set.2 characterizations1 property2 figuresSimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AB stacking used in the comparative defect set.1 propertySimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AB' stacking used in the comparative defect set.1 characterization1 property1 figureSimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Research paperComputational DFTComputed PhononExceptionally strong coupling of defect emission in hexagonal boron nitride to stacking sequencesSong Li, Anton Pershin, Pei Li, Adam GaliarXiv·2023·10.1038/s41699-024-00455-y·arXiv:2307.10401AbstractTheoretical study of stacking-sequence effects on defect emission in hexagonal boron nitride. The paper compares the stability and electronic structure of bilayer hBN polytypes and examines how stacking modifies defect zero-phonon lines, photoluminescence sidebands, Huang-Rhys factors, and radiative lifetimes for ultraviolet single-photon emitters, especially carbon-related defects.Read more
Pristine AA' bilayer hBN supercell used for stability and band-gap comparison.2 characterizations2 properties2 figuresSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
Pristine AB bilayer hBN supercell used for stability and band-gap comparison.2 propertiesSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
Pristine AB' bilayer hBN supercell used for stability and band-gap comparison.1 characterization2 properties1 figureSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
2C defect in AA' stacking used for defect-emission calculations.2 characterizations2 properties2 figuresSimulated Supercell DfthBNStudied Materialcarbon defect in hBN (2C defect)Studied MaterialhBNStudied MaterialExpand
2C defect in AB stacking, including AB₁/AB₂ configurations used for optical-property comparison.1 characterization8 properties1 figureSimulated Supercell DfthBNStudied Materialcarbon defect in hBN (2C defect)Studied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AA' stacking used in the comparative defect set.2 characterizations1 property2 figuresSimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AB stacking used in the comparative defect set.1 propertySimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AB' stacking used in the comparative defect set.1 characterization1 property1 figureSimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Research paperComputational DFTComputed PhononExceptionally strong coupling of defect emission in hexagonal boron nitride to stacking sequencesSong Li, Anton Pershin, Pei Li, Adam GaliarXiv·2023·10.1038/s41699-024-00455-y·arXiv:2307.10401AbstractTheoretical study of stacking-sequence effects on defect emission in hexagonal boron nitride. The paper compares the stability and electronic structure of bilayer hBN polytypes and examines how stacking modifies defect zero-phonon lines, photoluminescence sidebands, Huang-Rhys factors, and radiative lifetimes for ultraviolet single-photon emitters, especially carbon-related defects.Read more
Pristine AA' bilayer hBN supercell used for stability and band-gap comparison.2 characterizations2 properties2 figuresSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
Pristine AB bilayer hBN supercell used for stability and band-gap comparison.2 propertiesSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
Pristine AB' bilayer hBN supercell used for stability and band-gap comparison.1 characterization2 properties1 figureSimulated Supercell DfthBNStudied MaterialhBNStudied MaterialExpand
2C defect in AA' stacking used for defect-emission calculations.2 characterizations2 properties2 figuresSimulated Supercell DfthBNStudied Materialcarbon defect in hBN (2C defect)Studied MaterialhBNStudied MaterialExpand
2C defect in AB stacking, including AB₁/AB₂ configurations used for optical-property comparison.1 characterization8 properties1 figureSimulated Supercell DfthBNStudied Materialcarbon defect in hBN (2C defect)Studied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AA' stacking used in the comparative defect set.2 characterizations1 property2 figuresSimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AB stacking used in the comparative defect set.1 propertySimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
Stone-Wales defect in AB' stacking used in the comparative defect set.1 characterization1 property1 figureSimulated Supercell DfthBNStudied MaterialStone-Wales defect in hBNStudied MaterialhBNStudied MaterialExpand
