Calculation of second-order nonlinear optical coefficients of KTiOPO4 and KTiOAsO4

The second-order nonlinear optical tensor coefficients of both KTiOPO4 (KTP) and KTiOAsO4 (KTA) are calculated from the chemical bond viewpoint. All constituent chemical bonds of both crystals are considered, and contributions of each type of bond to the total linearity and nonlinearity are determined. Calculated results agree satisfactorily with experimental data in both signs and numerical values. The calculation shows that though TiO6 groups and P(1)O-4 or As(1)O-4 groups have relatively larger linear contributions, they can only produce an advantageous environment for KOx (x = 8, 9) groups and P(2)O-4 or As(2)O-4 groups in nonlinear optical contributions. The origin of nonlinearity of KTP family crystals comes from the KOx (x = 8, 9) and P(2)O-4 groups in their crystal structures. Furthermore, the difference in optical nonlinearities of KTP type crystals is analyzed, based on the detailed calculation of nonlinearities of both KTP and KTA. (C) 1999 Academic Press.

The origin of nonlinearity in KTiOPO4

The origin of nonlinearity in KTiOPO4 was investigated quantitatively from the chemical bond viewpoint. All constituent chemical bonds in this crystal were considered and their contributions to the total linearity and nonlinearity were quantitatively determined. Calculated results agree satisfactorily with experimental data in both signs and numerical values. These results show us that TiO6 groups and P(1)O-4 groups have relatively larger linear contributions and the nonlinearity derives from KOx (x=8,9) groups and P(2)O-4 groups. (C) 1997 American Institute of Physics.