High-Pressure Phases of Boron Pnictides BX (X = As, Sb, Bi) with Quartz Topology from First Principles
The superdense hexagonal boron pnictides BX (X = As, Sb, Bi), whose structures are formed by distorted tetrahedra and characterized by a quartz-derived (<b>qtz</b>) topology, have been predicted from first principles as potential high-pressure phases. From full geometry structure relaxat...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-02-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/14/3/221 |