Theoretical insights and design of intriguing nonlinear optical species involving the excess electron

Abstract

Nonlinear optical (NLO) materials have been widely investigated in view of the applications in optoelectronic devices, and so forth. Recently, it is revealed that the species involving the excess electron can exhibit the considerable NLO response, where the excess electron plays an important role in increasing the first hyperpolarizability. It is worth mentioning that the intriguing electride/alkalide compounds with excess electron have been realized in experiment. In this work, we have presented a summary of our insights on how to introduce the excess electron in the related systems to effectively improve their NLO properties by considering different crucial factors involving the complexant, doped metal atom and interaction mode between them, and so forth. It is of benefit for promoting the design of new high-performance NLO materials involving excess electron in the near future.