Evaluation and prospect of Mid-Infrared nonlinear optical materials in f0 rare earth (RE = Sc, Y, La) chalcogenides

• Published in: Coordination chemistry reviews 2024-06, Vol.509, p.215805, Article 215805
• Main Authors: Dong, Linfeng, Zhang, Shengzi, Gong, Pifu, Kang, Lei, Lin, Zheshuai
• Format: Article
• Language: English
• Subjects: Balanced Mid-IR NLO performance; Crystal structure coordination; f0 Rare earth chalcogenides; Mid-IR Nonlinear optical materials; Structure–property relationship
• ISSN: 0010-8545; 1873-3840
• DOI: 10.1016/j.ccr.2024.215805

[Display omitted] •Recent developments in mid-IR NLO materials utilizing f0 rare earth chalcogenides (RE = Sc, Y, La) are reviewed.•The advantages of utilizing f0 rare earth chalcogenides as mid-IR NLO materials are thoroughly analyzed.•Several useful conclusions and considerations for future research are presented. Mid-infrared (mid-IR) nonlinear optical (NLO) materials are extensively researched as a vital optoelectronic material family with widespread applications ranging from civil to military fields. Metal chalcogenides possess a wide range of IR transparency and vast structural diversity, making them ideal system for exploration of novel mid-IR NLO materials. Incorporating rare earth elements with 4f0 and 5f0 electrons, including Sc, Y, and La, into chalcogenide structures in mid-IR NLO materials has been actively studied in the recent years. In this review, we categorize all typical f0 rare earth (RE = Sc, Y, La) chalcogenides in the inorganic crystal structure database based on their NLO functional groups. We then assess their energy band gaps, NLO coefficients, birefringence, IR cut-offs, and mechanical properties using available experimental data and first-principles results and investigate the correlation between structural features and mid-IR NLO performance. It is showed that the f0 rare earth chalcogenides can possess suitable birefringence and NLO response for mid-IR NLO applications, while not compromising energy band gap, thus may have a well-balanced mid-IR NLO performance. The prospects of novel f0 rare earth chalcogenides with favorable mid-IR NLO performance are also discussed.