Structure and Non-linear Optical Properties of β -Barium Borate

The non-linear optical (NLO) properties of crystalline β-BaB₂O₄ (β-barium borate, BBO) have been investigated from the chemical bond viewpoint. The contributions of each type of chemical bond to the total NLO coefficient have been quantitatively determined. The calculations indicate that the true space group of BBO is R3 rather than R3c.

-1