Highly polarizable Hg induced a strong SHG signal and large birefringence in LiHgPO.

Wu BL , Hu CL , Mao FF , Tang RL , Mao JG
Journal of the American Chemical Society
A new ultraviolet nonlinear optical (NLO) material, namely LiHgPO, was synthesized by mild hydrothermal method. The structure of LiHgPO features novel double layers con-structed by severely distorted HgO octahedra and PO tetrahedra, which are further interconnected by LiO tetrahedra to form a three-dimensional (3D) structure. LiHgPO exhibits a very strong second harmonic generation (SHG) response of 11.0 times that of KHPO (KDP) and a relatively large birefringence (0.068 @ 1064 nm) among the reported SHG-active phosphates. Theoretical calculations revealed that the introduction of the Hg in a highly distorted HgO oc-tahedral geometry is crucial to produce the strong SHG re-sponse and large birefringence.

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