First-principles study of phase transition, elastic and thermodynamic properties of ZnSe at high pressure
Abstract The structural and elastic properties of ZnSe with B3 and B1 phases under different pressure have been investigated by the first principle method based on density functional theory. The obtained structural parameters of ZnSe in both B3 and B1 structures are in good agreement with the availa...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2020-02-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-020-59687-9 |