Density Functional Theory Study of Pressure-Dependent Structural and Electronic Properties of Cubic Zirconium Dioxide
In this study, the structural, electronic, and elastic properties of cubic zirconium dioxide (c-ZrO<sub>2</sub>) were investigated using the Density Functional Theory (DFT) approach. Lattice parameter optimization revealed that the lattice constant is 5.107 Å, the Zr–O bond length is 2.2...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-04-01
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| Series: | Ceramics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2571-6131/8/2/41 |
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