Effects of the Nanowire Length and Metal-Doping on Nonlinear Optical Responses ofDrum-Shaped Boron Cluster Assemblies

In the present work, systematic theoretical calculations are performed to study the possible formationof finite-size nanowire assemblies by stacking B14 or B14M (M= Fe, Co) building blocks. Our results highlight thatthe modulation of the first hyperpolarizability by varying the number of stacked units. Among all the examinedsystems, the highest hyperpolarizability (βtot = 1.35 × 105 a.u.) is observed for (B14Fe)6.

کلیدواژه های Effects of the Nanowire Length and Metal-Doping on Nonlinear Optical Responses ofDrum-Shaped Boron Cluster Assemblies:

Static and dynamic NLO. ، Boron Cluster ، Doping