Multifractal based topological characterization of perovskite crystal and predictive analysis on its physical properties.

Authors

K Yogalakshmi, D Easwaramoorthy

Published in

Frontiers in chemistry. Volume 13. Pages 1639522. Epub Aug 04, 2025.

Abstract

Perovskite material has gained popularity and attracted much attention in recent years. Calcium Titanium Oxide $\left(CaTi{O}_3\right)$ is a perovskite crystal structure, which has the molecular formula $AB{X}_3$ , widely employed in geosciences, electronic ceramic materials, and radioactive waste immobilization. The powerful mathematical tool called topological descriptors or index is used to analyze $CaTi{O}_3$ perovskite. It provides a numerical representation of certain physical and chemical features on the crystal structure. Additionally, topological indices are frequently used by chemical scientists to determine the strain energy, melting and boiling points, distortion, and stability of chemical substances. In this paper, the topological indices are derived from the M-polynomial for $CaTi{O}_3$ perovskite crystal structure depends on reverse degree using the edge partitioning technique and the behavior of this crystal structure is presented as numerically derived equations and topological descriptors. The Generalized Fractal Dimensions (GFD) are calculated using Renyi entropy based on the equations of the reverse degree dependent indices derived from the M-polynomial, which are compared graphically and tabularly with respect to given indices. Furthermore, the molecular mass and collision diameter physical properties of the $CaTi{O}_3$ crystal structure are analyzed and correlated with the generalized fractal dimensions derived from topological indices, leading to the development of a predictive correlation model explaining the highest and lowest correlation coefficient values of each index defined in this phenomenon. Therefore, GFD aids to understand how the fractal nature, connectivity, and branching of the crystal affect its properties in the growth pattern of the $CaTi{O}_3$ crystal structure.

PMID:
40832564
Bibliographic data and abstract were imported from PubMed on 20 Aug 2025.

Read full publication at:
Please sign in to see all details.

Stats

1-terrible, 9-excellent. How would you rate this publication? Sign in in to submit your rating.

Post a comment

You need to be signed in to post comments. You can sign in here.

Comments

There are no comments yet.