Synergistic effects of rare-earth doping on the magnetic properties of orthochromates: A machine learning approach

Fuente: arXiv
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Autori principali: Xu, Guanping, Zhao, Zirui, Su, Muqing, Li, Hai-Feng
Natura: Preprint
Pubblicazione: 2025
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author Xu, Guanping
Zhao, Zirui
Su, Muqing
Li, Hai-Feng
author_facet Xu, Guanping
Zhao, Zirui
Su, Muqing
Li, Hai-Feng
contents Multiferroic materials, particularly rare-earth orthochromates (RECrO$_3$), 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$\acute{\textrm{e}}$el temperature, $T_\textrm{N}$), 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$_3$ compounds under various doping scenarios. Experimental and literature data were integrated to train machine learning models, enabling accurate predictions of $T_\textrm{N}$, besides remanent polarization ($P_\textrm{r}$) and piezoelectric coefficients ($d_{33}$). The results indicate that doping with specific RE elements significantly impacts $T_\textrm{N}$, with optimal doping levels identified for enhanced performance. Furthermore, high-entropy RECrO$_3$ 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$_3$ materials, offering valuable insights into their potential applications in energy storage and sensor technologies.
format Preprint
id arxiv_https___arxiv_org_abs_2510_19391
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Synergistic effects of rare-earth doping on the magnetic properties of orthochromates: A machine learning approach
Xu, Guanping
Zhao, Zirui
Su, Muqing
Li, Hai-Feng
Materials Science
Applied Physics
Computational Physics
Multiferroic materials, particularly rare-earth orthochromates (RECrO$_3$), 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$\acute{\textrm{e}}$el temperature, $T_\textrm{N}$), 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$_3$ compounds under various doping scenarios. Experimental and literature data were integrated to train machine learning models, enabling accurate predictions of $T_\textrm{N}$, besides remanent polarization ($P_\textrm{r}$) and piezoelectric coefficients ($d_{33}$). The results indicate that doping with specific RE elements significantly impacts $T_\textrm{N}$, with optimal doping levels identified for enhanced performance. Furthermore, high-entropy RECrO$_3$ 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$_3$ materials, offering valuable insights into their potential applications in energy storage and sensor technologies.
title Synergistic effects of rare-earth doping on the magnetic properties of orthochromates: A machine learning approach
topic Materials Science
Applied Physics
Computational Physics
url https://arxiv.org/abs/2510.19391