Planar graphitic ZnS, buckling ZnS monolayers and rolled-up nanotubes as nonlinear optical materials: first-principles simulation.

ABSTRACT: Nonlinear optical (NLO) materials have an ability to generate new coherent light. At the present stage, three dimensional (3D) mid-infrared NLO materials suffer from various deficiencies such as low laser damage thresholds (LDTs) for AgGaQ₂ (Q = S, Se); the band gaps of most intensively studied two-dimensional (2D) NLO materials are not wide enough to avoid two-photon absorption (TPA); a steady NLO property regardless of diameter and chirality is absent in one-dimensional (1D) single-walled nanotubes (SWNTs). In this research, the electronic and second harmonic generation (SHG) properties of planar graphitic ZnS (g-ZnS) monolayer, buckling reconstructed ZnS (R-ZnS) monolayer which is synthesized in a recent experiment, and rolled-up SWNTs are investigated with first-principles s

SUBMITTER: Hu L 

PROVIDER: S-EPMC9070014 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature