Abstract
We develop a first-principles method to simulate the propagation of intense and ultrashort pulsed light in crystalline thin films solving the Maxwell equations for light electromagnetic fields and the time-dependent Kohn-Sham equation for electrons simultaneously using common spatial and temporal grids. As a demonstration, we apply the method to silicon thin films.
Highlights
In current frontiers of optical science, we often encounter cases in which macroscopic electromagnetism is not sufficient and it is required to go back to quantum descriptions of electron dynamics
We develop a first-principles computational method for the propagation of intense and ultrashort laser pulses through thin films based on the time-dependent density functional theory (TDDFT)
The method here is different from the previous one in that the electromagnetic fields and electron dynamics are solved in the same spatial scale, using a common spatial grid
Summary
In current frontiers of optical science, we often encounter cases in which macroscopic electromagnetism is not sufficient and it is required to go back to quantum descriptions of electron dynamics. We solve the Maxwell equations for light electromagnetic fields and the time-dependent Kohn-Sham (TD-KS) equation for electron dynamics simultaneously, in real space and real time. We have developed a multiscale theory using two kinds of spatial grids for macroscopic electromagnetic fields and microscopic electron dynamics [1]. The method here is different from the previous one in that the electromagnetic fields and electron dynamics are solved in the same spatial scale, using a common spatial grid. This is important for systems of thickness much less than the light wavelength and/or for systems with strong absorption
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