Theoretical Investigations of a BN Polymorph with <i>sp</i><sup>2</sup> + <i>sp</i><sup>3</sup> Hybridizations

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...

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Bibliographic Details
Main Authors: Xinhai Yu, Riguge Su, Bei He, Binchang Ma
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Crystals
Subjects:
<i>P</i>4/<i>m</i> BN
mechanical anisotropy
electronic band structure
brittleness
<i>X</i>-ray diffraction
Online Access:https://www.mdpi.com/2073-4352/11/12/1574

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