Ab Initio High-Pressure Study of Semiconductor-Metal Phase Transition of the Chalcogenide Compound KPSe6
We report the results of pressure-induced semiconductor-metal phase transition of the semiconducting chalcogenide compound KPSe6 under high pressure using the ab initio methods. The ground-state energy calculations were performed within density functional theory and the generalized gradient approxim...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2020-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2020/3407141 |