A deep dive into cation-modified structural, mechanical, magneto‑electronic, and thermophysical properties of MAlO3 (M = Ca, Sr, Ba, and Ra): First-principles investigation

This article presents a first-principles investigation of structural, mechanical, thermophysical, and magneto-electronic properties of MAlO3 (M = Ca, Sr, Ba, and Ra) perovskites, which have not yet been synthesized experimentally. The ground state energies derived from structural optimizations imply...

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Bibliographic Details
Main Authors: Asif Hosen, Md. Rafiqul Islam, Ahmad A. Mousa, Mohammed S. Abu-Jafar
Format: Article
Language:English
Published: Elsevier 2025-03-01
Series:Results in Engineering
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Online Access:http://www.sciencedirect.com/science/article/pii/S2590123025001045
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