Superdense Hexagonal BP and AlP with Quartz Topology: Crystal Chemistry and DFT Study
The superdense hexagonal phosphides BP and AlP, whose structures are formed by distorted tetrahedra and characterized by quartz-derived (<b>qtz</b>) topology, were predicted from crystal chemistry and first principles as potential high-pressure phases. From full geometry structure relaxa...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-11-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/13/12/1622 |