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Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects
Author(s) -
Chen Jindong,
Lin Chensheng,
Zhao Dan,
Luo Min,
Peng Guang,
Li Bingxuan,
Yang Shunda,
Sun Yingshuang,
Ye Ning
Publication year - 2020
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202010319
Subject(s) - materials science , infrared , band gap , second harmonic generation , diamond , nonlinear optical , optoelectronics , substitution (logic) , laser , nonlinear system , optics , metallurgy , physics , quantum mechanics , computer science , programming language
To design pnictide nonlinear optical materials with wide band gap and large second‐harmonic generation, the heavy halogen I was introduced into pnictides through anionic aliovalent substitution with diamond‐like ZnS as templates. Thus, four excellent halopnictide‐based infrared nonlinear optical crystals, M II 3 PnI 3 (M II =Zn, Cd; Pn=P, As), were obtained. They all exhibited defect diamond‐like structures with highly parallel‐oriented [M II PnI 3 ] mixed‐anionic tetrahedral groups, leading to excellent physical properties including wide band gaps (2.38–2.85 eV), large second harmonic generation responses (2.7–5.1×AgGaS 2 ), high laser‐induced damage thresholds (5.5–10.7×AgGaS 2 ), and good IR transparency. In particular, Cd 3 PI 3 and Cd 3 AsI 3 achieved phase‐matching (Δ n =0.035 and 0.031) that their template β‐ZnS could not do. Anionic aliovalent substitution provides a feasible strategy to design novel promising halopnictide IR NLO materials.