Enhanced nonlinear optical response of graphene-based nanoflake van der Waals heterostructures. Issue 10 (29th January 2021)

• Record Type: Journal Article
• Authors: Kaur, Sumandeep; Pandey, Ravindra; Karna, Shashi P.
• Is Part Of: RSC advances. Volume 11:Issue 10(2021)
• Page Start: 5590
• Page End: 5600
• Publication Date: 2021-01-29
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/d0ra09636a
• Languages: English
• ISSNs: 2046-2069

Abstract

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. 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/phosphorene bilayer heterostructure. The calculated results clearly show that graphene-based nanoflake heterostructures giving large NLO coefficients together with high electron mobility of these materials offer new opportunities as candidate materials of choice for next-generation photonics and integrated quantum technologies.