Structural and Mechanical Properties of Orthorhombic Libeh3: AB-Initio Study
The structural parameters and the elastic properties of orthorhombic LiBeH3 material were predicted theoretically using the density functional theory (DFT). The exchange-correlation potential term was treated using the local density approximation (LDA). Our values of the structural parameters and el...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Sciendo
2024-12-01
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| Series: | Annals of West University of Timisoara: Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.2478/awutp-2024-0002 |
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