Theoretical Investigations of a BN Polymorph with <i>sp</i><sup>2</sup> + <i>sp</i><sup>3</sup> Hybridizations
The crystal structure, mechanical anisotropy, elastic properties and electronic characteristics, as well as the stability, of <i>P</i>4/<i>m</i> BN are predicted by means of density functional theory. In this work, BN in the <i>P</i>4/<i>m</i> phase de...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-12-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/11/12/1574 |