Abstract
This review gives a brief presentation of the basic concepts and calculation methods of the "anionic group theory" for the NLO effect in borate crystals. On this basis, boron-oxygen groups of various known borate structure types have been classified and systematic calculations were carried out for microscopic second-order susceptibilities of the groups. Through these calculations, a series of structural criteria serving as useful guidelines for finding and developing new NLO crystals in the borate series were found: (1) The planar six-membered ring (B3O6)3- and the planar trigonal (BO3)3- group, each possessing a conjugated π-orbital system, are far more favourable for producing larger second-order susceptibilities′ and anisotropy of linear susceptibilities than the non-planar tetrahedral (BO4)5- group. (2) On the other hand, the ultraviolet absorption edges of non-planar groups, such as (BO4)5-, (B3O7)5- are shifted to shorter wavelengths than those of the (B3O6)3- and (BO3)3- groups. (3) The SHG coefficients and birefringences
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