KYSiSe<sub>4</sub>: A Rare-Earth Selenide Infrared Nonlinear Optical Crystal with Wide Infrared Transparency and Well-Balanced <i>E</i><sub>g</sub> and SHG Response
Infrared (IR) nonlinear optical (NLO) crystals as frequency-conversion devices have shown wide applications in military and civil region. Rare-earth chalcogenides have emerged as a promising IR NLO crystal resource. To realize wide IR transparent ranges, wide bandgaps, and large NLO effects, K<sup>+</sup> with high electropositivity, light rare earth cation Y<sup>3+</sup> were induced into the selenide system. Fortunately, KYSiSe<sub>4</sub>, a rare-earth selenide with a wide IR transparent range (0.38-20.5 μm) and well-balanced <i>E</i><sub>g</sub> (3.25 eV) and SHG response (0.70 × AgGaS<sub>2</sub>) was obtained. First-principles analysis revealed that NLO properties were mainly due to the joint contribution of [SiSe<sub>4</sub>] anionic groups and [YSe<sub>7</sub>] polyhedra. This work indicates that KYSiSe<sub>4</sub> may be regarded as a potential IR NLO candidate.
Authors
- Guangmao Li (ORCID: https://orcid.org/0000-0002-3997-5118)
- Limei Xiao
- W Che (ORCID: https://orcid.org/0009-0002-3136-5486)
- Yakun Tang
- Haixia Wang (ORCID: https://orcid.org/0000-0002-5782-8242)
- Hongbo Zhang (ORCID: https://orcid.org/0000-0003-0673-9482)
- Xinfeng Guo
Institutions
- Chinese Academy of Sciences (CN)
- Xinjiang Technical Institute of Physics & Chemistry (CN)
- Goldwind (China) (CN)
- Xinjiang University (CN)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2025-06-16
- DOI
- https://doi.org/10.1021/acs.inorgchem.5c01501
- Citations
- 3
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 1.28