Affiliation:
1. Research Center for Crystal Materials CAS Key Laboratory of Functional Materials and Devices for Special Environments Xinjiang Technical Institute of Physics & Chemistry, CAS 40-1 South Beijing Road Urumqi 830011 China
2. Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China
Abstract
AbstractTraditional infrared (IR) nonlinear optical (NLO) materials such as AgGaS2 are crucial to key devices for solid‐state lasers, however, low laser damage thresholds intrinsically hinder their practical application. Here, a robust strategy is proposed for unbiased high‐throughput screening of more than 140 000 materials to explore novel IR NLO materials with high thermal conductivity and wide band gap which are crucial to intrinsic laser damage threshold. Via our strategy, 106 compounds with desired band gaps, NLO coefficients and thermal conductivity are screened out, including 8 nitrides, 68 chalcogenides, in which Sr2SnS4 is synthesized to verify the reliability of our process. Remarkably, thermal conductivity of nitrides is much higher than that of chalcogenides, e.g., 5×AgGaS2 (5.13 W/m K) for ZrZnN2, indicating that nitrides could be a long‐neglected system for IR NLO materials. This strategy provides a powerful tool for searching NLO compounds with high thermal conductivity.
Funder
Key Technologies Research and Development Program
National Natural Science Foundation of China
Subject
General Chemistry,Catalysis
Cited by
24 articles.
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