Linear
and Nonlinear Optical Properties of K<sub>3</sub>B<sub>6</sub>O<sub>10</sub>Br Single Crystal: Experiment and Calculation
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Abstract
The experimental and theoretical
analysis of linear and nonlinear
optical properties of K<sub>3</sub>B<sub>6</sub>O<sub>10</sub>Br (KBOB),
with a moderate birefringence that is suitable for UV coherent light
generation and optical parametric oscillators, is presented in detail.
The second-order nonlinear optical coefficients were measured by the
Maker fringe method and the refractive indices dispersion curves were
deduced by the minimum deviation technique at 16 different monochromatic
sources from UV to NIR, and then the type I and type II phase-matching
curves of second, third, and fourth harmonic generation (SHG, THG,
and FHG) were calculated. Moreover, the correlations of crystallographic
and crystallophysical axes were determined. On the basis of the density
functional theory (DFT), the first-principles calculations have been
employed successfully to study the structural and electronic properties
of KBOB. In addition, to gain further insight into the structure–property
relationship, the SHG density method was adopted to analyze the origin
of the nonlinear optical response of KBOB