Enhanced nonlinear optical response of graphene-based nanoflake van der Waals heterostructures.

ABSTRACT: The nonlinear optical properties of van der Waals bilayer heterostructures composed of graphene/h-BN and graphene/phosphorene nanoflakes are investigated using time-dependent density functional theory. Our calculated results show a significant enhancement of the first-hyperpolarizability value, β in heterostructures relative to the pristine nanoflakes at λ = 1064 nm. The calculated enhancement in optical nonlinearity mainly results from in-plane anisotropy induced by the interlayer electronic coupling between the adjacent nanoflake layers; a higher degree of anisotropy is induced by puckered phosphorene compared to atomically flat h-BN yielding χ ⁽²⁾ value corresponding to the second harmonic generation of ∼50 pm V^-1 in the zigzag graphene/phospho

SUBMITTER: Kaur S 

PROVIDER: S-EPMC8694720 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature