Active learning-enhanced yttrium oxyhydride thin films for photoinduced insulator-to-metal transitions
Yttrium oxyhydride thin films show promise for photoinduced insulator-to-metal transition (PIMT) applications, exhibiting notable resistance reduction under illumination. However, the limited resistance modulation in polycrystalline films, primarily due to grain boundary scattering, restricts their...
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| Main Authors: | , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-08-01
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| Series: | Materials & Design |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127525007701 |
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| Summary: | Yttrium oxyhydride thin films show promise for photoinduced insulator-to-metal transition (PIMT) applications, exhibiting notable resistance reduction under illumination. However, the limited resistance modulation in polycrystalline films, primarily due to grain boundary scattering, restricts their full potential. High-quality epitaxial YHxOy films remains particularly challenging due to the complex, high-dimensional parameter space that governs the growth conditions. Herein, an initial dataset was constructed utilizing Optimal Latin hypercube sampling (OLHS) and magnetron sputtering technology, in order to systematically explore the five-dimensional parameter space and complete the experimental iterations. A closed-loop optimization framework was subsequently developed through Bayesian optimization, incorporating adaptive acquisition strategies that facilitated dynamic transitions between exploration and exploitation phases, coupled with an efficient Pareto frontier calculation approach—the Convex Hull Approximation Method (CHAM). The active learning-assisted multi-objective optimization strategy demonstrated superior experimental efficiency compared to conventional random sampling approaches, achieving an approximately 20-40 fold reduction in all experimental iterations. Optimized YHxOy thin films exhibited well-defined epitaxial orientation on CaF2(111) substrates, with a six-order-of-magnitude resistance modulation and metallic behavior (dρ/dT > 0) under illumination, demonstrating robust photoinduced insulator-to-metal transition behavior. This material exhibits considerable potential for integration into advanced optoelectronic devices, smart window technologies, and next-generation non-volatile memory systems. |
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| ISSN: | 0264-1275 |