Research paperComputational MultiscaleTheoreticalAnisotropy and effective medium approach in the optical response of 2D material heterostructuresBruno Majérus, Emerick Guillaume, Pascal Kockaert, Luc Henrard2023·arXiv:2309.14899AbstractThis article develops and compares effective-medium descriptions for the optical response of anisotropic two-dimensional materials and heterostructures. A microscopic framework is used to define surface susceptibilities and recover effective models for vertical and horizontal heterostructures. Time-dependent density functional theory is used for reference calculations on systems such as graphene, hBN, graphene multilayers, and graphene-hBN bilayers, while rigorous coupled wave analysis is used for horizontally structured systems such as nanoribbons.Read more
Single graphene sheet used as a reference system for TDDFT-based optical response calculations.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene multilayer consisting of 10 stacked sheets used to test the validity of the effective 2D model.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene multilayer consisting of 20 stacked sheets used to test breakdown of the strictly 2D model at larger thickness.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene-hBN vertical bilayer heterostructure used as a reference heterostructure for effective-medium analysis.No measurements recordedSimulated Supercell DftCStudied MaterialhBNStudied MaterialExpand
Graphene nanoribbon horizontal heterostructure used in RCWA calculations of laterally structured 2D systems.No measurements recordedSimulatedCStudied MaterialExpand
Graphene-hBN hetero-nanoribbon horizontal heterostructure used in RCWA calculations.No measurements recordedSimulatedCStudied MaterialhBNStudied MaterialExpand
Corrugated graphene system with larger thickness mentioned as an additional reference calculation.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Research paperComputational MultiscaleTheoreticalAnisotropy and effective medium approach in the optical response of 2D material heterostructuresBruno Majérus, Emerick Guillaume, Pascal Kockaert, Luc Henrard2023·arXiv:2309.14899AbstractThis article develops and compares effective-medium descriptions for the optical response of anisotropic two-dimensional materials and heterostructures. A microscopic framework is used to define surface susceptibilities and recover effective models for vertical and horizontal heterostructures. Time-dependent density functional theory is used for reference calculations on systems such as graphene, hBN, graphene multilayers, and graphene-hBN bilayers, while rigorous coupled wave analysis is used for horizontally structured systems such as nanoribbons.Read more
Single graphene sheet used as a reference system for TDDFT-based optical response calculations.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene multilayer consisting of 10 stacked sheets used to test the validity of the effective 2D model.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene multilayer consisting of 20 stacked sheets used to test breakdown of the strictly 2D model at larger thickness.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene-hBN vertical bilayer heterostructure used as a reference heterostructure for effective-medium analysis.No measurements recordedSimulated Supercell DftCStudied MaterialhBNStudied MaterialExpand
Graphene nanoribbon horizontal heterostructure used in RCWA calculations of laterally structured 2D systems.No measurements recordedSimulatedCStudied MaterialExpand
Graphene-hBN hetero-nanoribbon horizontal heterostructure used in RCWA calculations.No measurements recordedSimulatedCStudied MaterialhBNStudied MaterialExpand
Corrugated graphene system with larger thickness mentioned as an additional reference calculation.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Research paperComputational MultiscaleTheoreticalAnisotropy and effective medium approach in the optical response of 2D material heterostructuresBruno Majérus, Emerick Guillaume, Pascal Kockaert, Luc Henrard2023·arXiv:2309.14899AbstractThis article develops and compares effective-medium descriptions for the optical response of anisotropic two-dimensional materials and heterostructures. A microscopic framework is used to define surface susceptibilities and recover effective models for vertical and horizontal heterostructures. Time-dependent density functional theory is used for reference calculations on systems such as graphene, hBN, graphene multilayers, and graphene-hBN bilayers, while rigorous coupled wave analysis is used for horizontally structured systems such as nanoribbons.Read more
Single graphene sheet used as a reference system for TDDFT-based optical response calculations.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene multilayer consisting of 10 stacked sheets used to test the validity of the effective 2D model.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene multilayer consisting of 20 stacked sheets used to test breakdown of the strictly 2D model at larger thickness.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene-hBN vertical bilayer heterostructure used as a reference heterostructure for effective-medium analysis.No measurements recordedSimulated Supercell DftCStudied MaterialhBNStudied MaterialExpand
Graphene nanoribbon horizontal heterostructure used in RCWA calculations of laterally structured 2D systems.No measurements recordedSimulatedCStudied MaterialExpand
Graphene-hBN hetero-nanoribbon horizontal heterostructure used in RCWA calculations.No measurements recordedSimulatedCStudied MaterialhBNStudied MaterialExpand
Corrugated graphene system with larger thickness mentioned as an additional reference calculation.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Research paperComputational MultiscaleTheoreticalAnisotropy and effective medium approach in the optical response of 2D material heterostructuresBruno Majérus, Emerick Guillaume, Pascal Kockaert, Luc Henrard2023·arXiv:2309.14899AbstractThis article develops and compares effective-medium descriptions for the optical response of anisotropic two-dimensional materials and heterostructures. A microscopic framework is used to define surface susceptibilities and recover effective models for vertical and horizontal heterostructures. Time-dependent density functional theory is used for reference calculations on systems such as graphene, hBN, graphene multilayers, and graphene-hBN bilayers, while rigorous coupled wave analysis is used for horizontally structured systems such as nanoribbons.Read more
Single graphene sheet used as a reference system for TDDFT-based optical response calculations.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene multilayer consisting of 10 stacked sheets used to test the validity of the effective 2D model.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene multilayer consisting of 20 stacked sheets used to test breakdown of the strictly 2D model at larger thickness.No measurements recordedSimulated Supercell DftCStudied MaterialExpand
Graphene-hBN vertical bilayer heterostructure used as a reference heterostructure for effective-medium analysis.No measurements recordedSimulated Supercell DftCStudied MaterialhBNStudied MaterialExpand
Graphene nanoribbon horizontal heterostructure used in RCWA calculations of laterally structured 2D systems.No measurements recordedSimulatedCStudied MaterialExpand
Graphene-hBN hetero-nanoribbon horizontal heterostructure used in RCWA calculations.No measurements recordedSimulatedCStudied MaterialhBNStudied MaterialExpand
Corrugated graphene system with larger thickness mentioned as an additional reference calculation.No measurements recordedSimulated Supercell DftCStudied MaterialExpand