Structural characteristics and second order nonlinear optical properties of borate crystals

摘要

From the chemical bond viewpoint, the second order nonlinear optical (NLO) responses of some typical borate crystals with various crystal structures have been quantitatively studied. The correlations between structural characteristics and second order NLO properties of selected borate crystals are discussed. Calculations show that the isolated BO_3 infrastructure is advantageous for borate crystals with large NLO responses. On the contrary, borate crystals with the BO_4 or B_xO_y infrastructure forming various six-member B-O rings may be expected to be materials with smaller NLO responses.