Synergistic effects of rare-earth doping on the magnetic properties of orthochromates: a machine learning approach
Year: 2025
Type: article
Abstract: Multiferroic materials, particularly rare-earth orthochromates (RECrO $$_3$$ 3 ), have garnered significant interest due to their unique magnetic and electric-polar properties, making them promising candidates for multifunctional devices. Although extensive research has been conducted on their antiferromagnetic (AFM) transition temperature (N $$\acute{\mathrm{e}}$$ e ´ el temperature, $$T_\mathrm{N}$$ T N ), ferroelectricity, and piezoelectricity, the effects of doping and substitution of rare-earth (RE) elements on these properties remain insufficiently explored. In this study, convolutional neural networks (CNNs) were employed to predict and analyze the physical properties of RECrO $$_3$$ 3 compounds under various doping scenarios. Experimental and literature data were integrated to train machine learning models, enabling accurate predictions of $$T_\mathrm{N}$$ T N , besides remanent polarization ( $$P_\mathrm{r}$$ P r ) and piezoelectric coefficients ( $$d_{33}$$ d 33 ). The results indicate that doping with specific RE elements significantly impacts $$T_\mathrm{N}$$ T N , with optimal doping levels identified for enhanced performance. Furthermore, high-entropy RECrO $$_3$$ 3 compounds were systematically analyzed, demonstrating how the inclusion of multiple RE elements influences magnetic properties. This work establishes a robust framework for predicting and optimizing the properties of RECrO $$_3$$ 3 materials, offering valuable insights into their potential applications in energy storage and sensor technologies. Graphical Abstract
Source: AAPPS bulletin
Authors: Guanping Xu, Zirui Zhao, Muqing Su, Hai-Feng Li
Institution: University of Macau
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $2,190
Awards: G2317593637, G5716532569, G6936073180
OpenAlex ID: W4415730721