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Ag(Te2O3)(PO4): Linear and Nonlinear Optical Properties of a Noncentrosymmetric Phosphotellurite with P-O-Te
Wei Chen1, Zi-Xuan Zhao1, Chao He2
1College of Chemistry and Chemical Engineering, Qingdao University, Shandong 266071, P. R. China.
Abstract:
By incorporating the stereochemically active lone pairs (SCALPs) Te4+ ion and d10-distorted transition-metal Ag+ ion into the phosphate system simultaneously, a new phosphotellurite, Ag(Te2O3)(PO4) (ATPO), was successfully obtained. Te4+ and Ag+ ions exhibit highly distorted TeO5 and AgO5 configurations, respectively. ATPO possesses a noncentrosymmetric dense structure. It is nonlinear optical (NLO) active with a second-harmonic generation (SHG) response of ∼0.7 × KH2PO4. ATPO also exhibits appropriate birefringence of 0.062@546 nm, wide transparency range (cutoff edge 269 nm), and high thermal stability (stable up to 550 °C). It exhibits a relatively balanced optical performance among the reported SHG-active phosphotellurites. Theoretical calculations were performed to analyze the structure-property relationship, and the results show that highly distorted TeO5 and AgO5 units make the main contributions to the optical properties. This work has a positive significance for exploring SCALP-cation-based linear and nonlinear optical materials.
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