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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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-03-01
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| Series: | Results in Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590123025001045 |
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