Photoinduced Rippling of Two-Dimensional Hexagonal Nitride Monolayers

Nano Lett. 2022 Nov 23;22(22):9006-9012. doi: 10.1021/acs.nanolett.2c03238. Epub 2022 Nov 7.

Abstract

Inducing structural changes and deformation using noninvasive methods, such as ultrafast laser technology, is an attractive route to multiple optomechanical and optoelectronic applications. Here, we show how photon excitation could accumulate in-plane stress and induce long-wavelength ripples in two-dimensional (2D) materials. Numerical results based on first-principles calculations and a continuum model predict that long-range nanoscale rippling could emerge under photon excitation in hexagonal nitride single atomic sheets. The photosoftened transverse acoustic mode dominates the out-of-plane distortion of the sheet, and the resultant rippling pattern strongly depends on the boundary condition. We reveal that the wavelength and height of the ripple scale as I-1/3 and I1/6, respectively, where I is the incident light energy flux. Our findings based on multiscale theory and simulations elucidate the interplay between carrier excitation, phonon dispersion, and long-range mechanical deformations, which could find potential usage in flexible electronics and electromechanical devices.

Keywords: density functional theory; light−matter interaction; phonon softening; quantum electronic stress; rippling; two-dimensional monolayers.