Dielectric constant prediction of perovskite microwave dielectric ceramics via machine learning

Abstract

With the development of communication technology, microwave dielectric ceramics are in increasingly urgent need. Perovskite ceramics, as a kind of microwave dielectric ceramics with large dielectric constant span, have broad application prospects. Predicting material properties before experiments can greatly accelerate the development of materials. Although the existing methods, including classical theory and density functional theory, are of practical use for dielectric constant prediction, unsatisfactory universality and predictability limit rational design of microwave dielectric ceramics. This work aims to develop an uncomplicated method to quickly predict the dielectric constant of perovskite ceramics. According to the element and content of the compound, the dielectric constant can be accurately predicted by our machine learning model. Moreover, the model provides prediction results that are consistent with the experiment, but are completely different from those calculated by C-M equation.