Design Strategy of Low-Dimensional Transition Metal Oxyhalide Structures and Their Nonlinear Optical Performance Optimization

Mengmeng Chen; Xinze Yan; Feng Yu

doi:10.6919/ICJE.202505_11(5).0024

Authors

Mengmeng Chen
Xinze Yan
Feng Yu

DOI:

https://doi.org/10.6919/ICJE.202505_11(5).0024

Keywords:

Transition Metal Oxyhalides; Nonlinear Optics; Low-Dimensional Materials; Second-Harmonic Generation; Structural Design.

Abstract

Low-dimensional transition metal oxyhalides are a new class of materials with optimized nonlinear optical (NLO) functionality, thus making them highly prospective candidates for future photonic device applications. In our current research work, we explore new strategies for structure design targeting the synthesis of low-dimensional transition metal oxyhalides with optimized NLO properties as well. We make a detailed analysis of various factors that contribute towards NLO performance such as dimensionality, structural symmetry, band structure of the electrons, and composition variations. With the combination of theoretical modeling and experimental measurement, we demonstrate that intentional cosubstitution of cation-anion building blocks significantly improves second-harmonic as well as third-harmonic generation responses. Our research offers valuable guidance for deliberate design of high-performance NLO materials for future optoelectronic devices, frequency conversion systems, and optical information processing schemes.

Downloads

Download data is not yet available.

References

[1] Chen, X., & Ok, K. M. (2022). Metal oxyhalides: an emerging family of nonlinear optical materials. Chemical Science, 13(14), 3942-3956.

[2] Huang, B., Clark, G., Navarro-Moratalla, E., Klein, D. R., Cheng, R., Seyler, K. L., ... & Xu, X. (2017). Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit. Nature, 546(7657), 270-273.

[3] You, J. W., Bongu, S. R., Bao, Q., & Panoiu, N. C. (2018). Nonlinear optical properties and applications of 2D materials: theoretical and experimental aspects. Nanophotonics, 8(1), 63-97.

[4] Shi, E., Yuan, B., Shiring, S. B., Gao, Y., Akriti, Guo, Y., ... & Dou, L. (2020). Two-dimensional halide perovskite lateral epitaxial heterostructures. Nature, 580(7805), 614-620.

[5] Wen, X., Gong, Z., & Li, D. (2019). Nonlinear optics of two‐dimensional transition metal dichalcogenides. InfoMat, 1(3), 317-337.

[6] Xie, Z., Zhao, T., Yu, X., & Wang, J. (2024). Nonlinear optical properties of 2D materials and their applications. Small, 20(34), 2311621.

[7] Ran, M. Y., Zhou, S. H., Li, B. X., Wu, X. T., Lin, H., & Zhu, Q. L. (2024). Balanced IR Nonlinear Optical Performance Achieved by Cation–Anion Module Cosubstitution in V-Based Salt-Inclusion Oxychalcogenides. Chemistry of Materials, 36(24), 11996-12005.

[8] Mistewicz, K. (2023). Low-Dimensional Chalcohalide Nanomaterials. NanoScience and Technology.

[9] Yang, Q., Wang, D., Zeng, Z. Y., Geng, H. Y., & Chen, X. R. (2024). High-performance photocatalytic and piezoelectric properties of two-dimensional transition metal oxyhalide ZrO X 2 (X= Br, I) and their Janus structures. Physical Review B, 109(3), 035411.