Machine learning accelerated discovery of high transmittance in (K_0.5Na_0.5)NbO₃-based ceramics

Abstract

High optical transmittance (T%) has always been an important indicator of transparent-ferroelectric ceramics for optoelectronic coupling. However, the pathway of pursuing high transparency has been at the experimental trial-and-error stage over the past decades, manifesting major drawbacks of being time-consuming and resource-wasting. The present work introduces a machine learning (ML) accelerated development of highly transparent-ferroelectrics by taking potassium-sodium niobate (KNN)-based ceramics as the model material. It is highlighted that by using a small data set of 118 sample data and four key features, we predict the T% of un-synthesized KNN-based ceramics and evaluate the importance of key features. Meanwhile, the screened (K_0.5Na_0.5)_0.956Tb_0.004Ba_0.04NbO₃ ceramics were successfully realized by the conventional solid-state synthesis, and the experimental measured T% is in full agreement with the predicted results, exhibiting a satisfactory high T% of ~78% at 800 nm. In addition, ML is also used to explore the best experimental parameters, and the prediction results of T% are particularly sensitive to changes in sintering temperature (ST). Eventually, the predicted optimal ST is highly consistent with the experimental one. This study constructs a new avenue for exploring high T% ferroelectric KNN ceramics based on ML, ascertaining optimal process parameters, and guiding the development of other transparent-ferroelectrics in optoelectronic fields.

Keywords

Machine learning / KNN-based ceramics / transmittance / sintering temperature

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