Research paperExperimental CharacterizationComputational DFTComputed PhononComputed RamanSecond-Order Raman Scattering in Exfoliated Black PhosphorusAlexandre Favron, Félix Antoine Goudreault, Vincent Gosselin, Julien Groulx et al.arXiv preprint·2024·10.1038/ncomms14670·arXiv:2408.09010AbstractSecond-order Raman scattering has been extensively studied in carbon-based nanomaterials because it activates normally forbidden Raman modes that are sensitive to crystal disorder. Here we report the identification of four second-order Raman modes, named D1, D′1, D₂ and D′2, in exfoliated black phosphorus (2D-phosphane). Their evolutions as a function of sample thickness, excitation wavelength, and defect density indicate that they are defect-activated and involve high-momentum phonons in a doubly-resonant Raman process. Ab initio simulations of a monolayer reveal that the D′ and D modes occur through intravalley scatterings with split contributions in the armchair and zigzag directions, respectively.Read more
Exfoliated black phosphorus / 2D-phosphane flakes on SiO₂/Si measured by Raman spectroscopy at multiple thicknesses (n = 1-7, 9, 12, 18).1 characterization8 properties2 figuresExperimentalPStudied MaterialExpand
Ab initio monolayer black phosphorus / 2D-phosphane model used for electronic structure, phonon, and Raman simulations.No measurements recordedSimulated Supercell DftPStudied MaterialExpand
Research paperExperimental CharacterizationComputational DFTComputed PhononComputed RamanSecond-Order Raman Scattering in Exfoliated Black PhosphorusAlexandre Favron, Félix Antoine Goudreault, Vincent Gosselin, Julien Groulx et al.arXiv preprint·2024·10.1038/ncomms14670·arXiv:2408.09010AbstractSecond-order Raman scattering has been extensively studied in carbon-based nanomaterials because it activates normally forbidden Raman modes that are sensitive to crystal disorder. Here we report the identification of four second-order Raman modes, named D1, D′1, D₂ and D′2, in exfoliated black phosphorus (2D-phosphane). Their evolutions as a function of sample thickness, excitation wavelength, and defect density indicate that they are defect-activated and involve high-momentum phonons in a doubly-resonant Raman process. Ab initio simulations of a monolayer reveal that the D′ and D modes occur through intravalley scatterings with split contributions in the armchair and zigzag directions, respectively.Read more
Exfoliated black phosphorus / 2D-phosphane flakes on SiO₂/Si measured by Raman spectroscopy at multiple thicknesses (n = 1-7, 9, 12, 18).1 characterization8 properties2 figuresExperimentalPStudied MaterialExpand
Ab initio monolayer black phosphorus / 2D-phosphane model used for electronic structure, phonon, and Raman simulations.No measurements recordedSimulated Supercell DftPStudied MaterialExpand
Research paperExperimental CharacterizationComputational DFTComputed PhononComputed RamanSecond-Order Raman Scattering in Exfoliated Black PhosphorusAlexandre Favron, Félix Antoine Goudreault, Vincent Gosselin, Julien Groulx et al.arXiv preprint·2024·10.1038/ncomms14670·arXiv:2408.09010AbstractSecond-order Raman scattering has been extensively studied in carbon-based nanomaterials because it activates normally forbidden Raman modes that are sensitive to crystal disorder. Here we report the identification of four second-order Raman modes, named D1, D′1, D₂ and D′2, in exfoliated black phosphorus (2D-phosphane). Their evolutions as a function of sample thickness, excitation wavelength, and defect density indicate that they are defect-activated and involve high-momentum phonons in a doubly-resonant Raman process. Ab initio simulations of a monolayer reveal that the D′ and D modes occur through intravalley scatterings with split contributions in the armchair and zigzag directions, respectively.Read more
Exfoliated black phosphorus / 2D-phosphane flakes on SiO₂/Si measured by Raman spectroscopy at multiple thicknesses (n = 1-7, 9, 12, 18).1 characterization8 properties2 figuresExperimentalPStudied MaterialExpand
Ab initio monolayer black phosphorus / 2D-phosphane model used for electronic structure, phonon, and Raman simulations.No measurements recordedSimulated Supercell DftPStudied MaterialExpand
Research paperExperimental CharacterizationComputational DFTComputed PhononComputed RamanSecond-Order Raman Scattering in Exfoliated Black PhosphorusAlexandre Favron, Félix Antoine Goudreault, Vincent Gosselin, Julien Groulx et al.arXiv preprint·2024·10.1038/ncomms14670·arXiv:2408.09010AbstractSecond-order Raman scattering has been extensively studied in carbon-based nanomaterials because it activates normally forbidden Raman modes that are sensitive to crystal disorder. Here we report the identification of four second-order Raman modes, named D1, D′1, D₂ and D′2, in exfoliated black phosphorus (2D-phosphane). Their evolutions as a function of sample thickness, excitation wavelength, and defect density indicate that they are defect-activated and involve high-momentum phonons in a doubly-resonant Raman process. Ab initio simulations of a monolayer reveal that the D′ and D modes occur through intravalley scatterings with split contributions in the armchair and zigzag directions, respectively.Read more
Exfoliated black phosphorus / 2D-phosphane flakes on SiO₂/Si measured by Raman spectroscopy at multiple thicknesses (n = 1-7, 9, 12, 18).1 characterization8 properties2 figuresExperimentalPStudied MaterialExpand
Ab initio monolayer black phosphorus / 2D-phosphane model used for electronic structure, phonon, and Raman simulations.No measurements recordedSimulated Supercell DftPStudied MaterialExpand