Research paperExperimental CharacterizationComputational DFTComputed Band StructureBand alignment and interlayer hybridisation in transition metal dichalcogenide/hexagonal boron nitride heterostructuresS. J. Magorrian, A. J. Graham, N. Yeung, F. Ferreira et al.arXiv preprint·2022·10.1021/acsami.1c18991·arXiv:2207.09433AbstractThis work examines band alignment and interlayer hybridisation in TMD/hBN heterostructures using density functional theory and comparison with ARPES measurements. The study shows that hybridisation between TMD and hBN valence states creates avoided crossings and ghost avoided crossings, and introduces a layer-dependent scissor operator to correct the hBN valence-band alignment for quantitative agreement with experiment.Read more
MoSe₂/hBN heterostructure studied by micro-ARPES.1 characterization8 properties2 figuresExperimentalMoSe₂Studied MaterialBNSubstrate / DielectricExpand
hBN/MoSe₂/hBN heterostructure studied by micro-ARPES.1 characterization8 properties2 figuresExperimentalMoSe₂Studied MaterialBNSubstrate / DielectricExpand
DFT supercell model of MoSe₂/hBN heterostructure used for interlayer-distance optimization and unfolded spectral functions.No measurements recordedSimulated Supercell DftMoSe₂Studied MaterialBNSubstrate / DielectricExpand
DFT supercell model of hBN/MoSe₂/hBN heterostructure used for unfolded spectral functions and scissor-corrected band alignment.No measurements recordedSimulated Supercell DftMoSe₂Studied MaterialBNSubstrate / DielectricExpand
Research paperExperimental CharacterizationComputational DFTComputed Band StructureBand alignment and interlayer hybridisation in transition metal dichalcogenide/hexagonal boron nitride heterostructuresS. J. Magorrian, A. J. Graham, N. Yeung, F. Ferreira et al.arXiv preprint·2022·10.1021/acsami.1c18991·arXiv:2207.09433AbstractThis work examines band alignment and interlayer hybridisation in TMD/hBN heterostructures using density functional theory and comparison with ARPES measurements. The study shows that hybridisation between TMD and hBN valence states creates avoided crossings and ghost avoided crossings, and introduces a layer-dependent scissor operator to correct the hBN valence-band alignment for quantitative agreement with experiment.Read more
MoSe₂/hBN heterostructure studied by micro-ARPES.1 characterization8 properties2 figuresExperimentalMoSe₂Studied MaterialBNSubstrate / DielectricExpand
hBN/MoSe₂/hBN heterostructure studied by micro-ARPES.1 characterization8 properties2 figuresExperimentalMoSe₂Studied MaterialBNSubstrate / DielectricExpand
DFT supercell model of MoSe₂/hBN heterostructure used for interlayer-distance optimization and unfolded spectral functions.No measurements recordedSimulated Supercell DftMoSe₂Studied MaterialBNSubstrate / DielectricExpand
DFT supercell model of hBN/MoSe₂/hBN heterostructure used for unfolded spectral functions and scissor-corrected band alignment.No measurements recordedSimulated Supercell DftMoSe₂Studied MaterialBNSubstrate / DielectricExpand
Research paperExperimental CharacterizationComputational DFTComputed Band StructureBand alignment and interlayer hybridisation in transition metal dichalcogenide/hexagonal boron nitride heterostructuresS. J. Magorrian, A. J. Graham, N. Yeung, F. Ferreira et al.arXiv preprint·2022·10.1021/acsami.1c18991·arXiv:2207.09433AbstractThis work examines band alignment and interlayer hybridisation in TMD/hBN heterostructures using density functional theory and comparison with ARPES measurements. The study shows that hybridisation between TMD and hBN valence states creates avoided crossings and ghost avoided crossings, and introduces a layer-dependent scissor operator to correct the hBN valence-band alignment for quantitative agreement with experiment.Read more
MoSe₂/hBN heterostructure studied by micro-ARPES.1 characterization8 properties2 figuresExperimentalMoSe₂Studied MaterialBNSubstrate / DielectricExpand
hBN/MoSe₂/hBN heterostructure studied by micro-ARPES.1 characterization8 properties2 figuresExperimentalMoSe₂Studied MaterialBNSubstrate / DielectricExpand
DFT supercell model of MoSe₂/hBN heterostructure used for interlayer-distance optimization and unfolded spectral functions.No measurements recordedSimulated Supercell DftMoSe₂Studied MaterialBNSubstrate / DielectricExpand
DFT supercell model of hBN/MoSe₂/hBN heterostructure used for unfolded spectral functions and scissor-corrected band alignment.No measurements recordedSimulated Supercell DftMoSe₂Studied MaterialBNSubstrate / DielectricExpand
Research paperExperimental CharacterizationComputational DFTComputed Band StructureBand alignment and interlayer hybridisation in transition metal dichalcogenide/hexagonal boron nitride heterostructuresS. J. Magorrian, A. J. Graham, N. Yeung, F. Ferreira et al.arXiv preprint·2022·10.1021/acsami.1c18991·arXiv:2207.09433AbstractThis work examines band alignment and interlayer hybridisation in TMD/hBN heterostructures using density functional theory and comparison with ARPES measurements. The study shows that hybridisation between TMD and hBN valence states creates avoided crossings and ghost avoided crossings, and introduces a layer-dependent scissor operator to correct the hBN valence-band alignment for quantitative agreement with experiment.Read more
MoSe₂/hBN heterostructure studied by micro-ARPES.1 characterization8 properties2 figuresExperimentalMoSe₂Studied MaterialBNSubstrate / DielectricExpand
hBN/MoSe₂/hBN heterostructure studied by micro-ARPES.1 characterization8 properties2 figuresExperimentalMoSe₂Studied MaterialBNSubstrate / DielectricExpand
DFT supercell model of MoSe₂/hBN heterostructure used for interlayer-distance optimization and unfolded spectral functions.No measurements recordedSimulated Supercell DftMoSe₂Studied MaterialBNSubstrate / DielectricExpand
DFT supercell model of hBN/MoSe₂/hBN heterostructure used for unfolded spectral functions and scissor-corrected band alignment.No measurements recordedSimulated Supercell DftMoSe₂Studied MaterialBNSubstrate / DielectricExpand