Centro S3, CNR-Istituto Nanoscienze, Via Campi 213 A, I-41125 Modena, Italy and Humboldt-Universität zu Berlin, Institut für Physik und IRIS Adlershof, D-12489 Berlin, Germany.
Centro S3, CNR-Istituto Nanoscienze, Via Campi 213 A, I-41125 Modena, Italy.
Phys Rev Lett. 2014 May 16;112(19):198303. doi: 10.1103/PhysRevLett.112.198303. Epub 2014 May 15.
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.
我们通过模拟强度不断增加的宽带电场的影响，对一种无金属酞菁的光限幅特性进行了完全的从头算、非微扰描述。结果证实，反饱和吸收是该体系中光限幅现象的主要机制，并表明在外电场较强时，通过激发态吸收可以填充许多偶极禁戒激发。与实验数据的良好一致性支持了我们的方法，认为它是一种有前途的工具，可用于预测该应用中的光限幅。
