Ba<sub>4</sub>Ca(B<sub>2</sub>O<sub>5</sub>)<sub>2</sub>F<sub>2</sub>: π-conjugation of B<sub>2</sub>O<sub>5</sub> in the planar pentagonal layer achieving large second harmonic generation of <i>pyro</i>-borate
Shuaishuai Li, Xiaomeng Liu, Hongping Wu, Zhongfu Song, Hongwei Yu, Zheshuai Lin, Zhanggui Hu, Jiyang Wang, Yicheng Wu
Abstract
A new deep-UV NLO pyro -borate Ba 4 Ca(B 2 O 5 ) 2 F 2 was synthesized by solid-state reactions. The better π-conjugation of B 2 O 5 dimers in the planar pentagonal layer achieves a large SHG response (∼2.2 × KDP), which is the largest among all the known DUV transparent borates with B 2 O 5 units.
Topics & Concepts
BoronCrystallographySolid-statePlanarChemistryMaterials sciencePhysical chemistryComputer scienceOrganic chemistryComputer graphics (images)Crystal Structures and PropertiesInorganic Fluorides and Related CompoundsHigh-pressure geophysics and materials