Ab Initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine

作者:Cocchi Caterina*; Prezzi Deborah; Ruini Alice; Molinari Elisa; Rozzi Carlo A
来源:Physical Review Letters, 2014, 112(19): 198303.
DOI:10.1103/PhysRevLett.112.198303

摘要

We present a fully ab initio, nonperturbative description of the optical limiting properties of a metal-free phthalocyanine by simulating the effects of a broadband electric field of increasing intensity. The results confirm reverse saturable absorption as the leading mechanism for optical limiting phenomena in this system and reveal that a number of dipole-forbidden excitations are populated by excited-state absorption at more intense external fields. The excellent agreement with the experimental data supports our approach as a powerful tool to predict optical limiting in view of applications.

  • 出版日期2014-5-15