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Empirical models for predicting cubic/pseudocubic lattice parameters of perovskites

  • Boise State University

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Predictive tools are uniquely suited to research in perovskite materials due to the host of suitable compositions and the predictable structural/behavioral trends that ultimately define whether a composition will exhibit specific functional properties. The works of several authors involving the prediction of lattice constants of perovskite materials using ionic-radius data are analyzed and compared here. By examining the methods used, these works and the results they produced are compared to each other and scrutinized. A slightly revised equation is proposed here which produces lower mean absolute relative errors than any previous model when used with reliable structural data, making it currently the most accurate correlative model.

Original languageEnglish
Article number113318
JournalMaterials Research Bulletin
Volume185
DOIs
StatePublished - May 2025

Keywords

  • Crystal structure
  • Electroceramics
  • Modelling/model
  • Perovskites

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