First-principles method for nonlinear light propagation at oblique incidence

TL;DR

This paper introduces a multiscale computational approach combining first-principles electron dynamics and macroscopic light propagation equations to model nonlinear light behavior at oblique incidence on surfaces.

Contribution

It presents a novel first-principles method integrating time-dependent density functional theory with Maxwell equations for nonlinear light propagation at oblique angles.

Findings

Successfully modeled light propagation on silicon thin films.

Demonstrated the method's capability for ultrashort, intense pulses.

Validated the approach with realistic surface conditions.

Abstract

We have developed a computational method to describe the nonlinear light propagation of an intense and ultrashort pulse at oblique incidence on a flat surface. In the method, coupled equations of macroscopic light propagation and microscopic electron dynamics are simultaneously solved using a multiscale modeling. The microscopic electronic motion is described by first-principles time-dependent density functional theory. The macroscopic Maxwell equations that describe oblique light propagation are transformed into one-dimensional wave equations. As an illustration of the method, light propagation at oblique incidence on a silicon thin film is presented.