Polycrystalline boron nitride constructed from hexagonal boron nitride

N. Xu, J. F. Li, Bolong Huang, B. L. Wang

Research output: Journal article publicationJournal articleAcademic researchpeer-review

6 Citations (Scopus)

Abstract

Two classes of structural families of boron nitride allotropes (named as X-BNs and L-BNs) are proposed to shed light on the polycrystalline structure of high pressure h-BN. We find that the previously proposed pct-BN and Z-BN belong to our currently proposed family (L-BNs). X-BNs are much more stable at zero pressure and more energetically favorable than L-BN and w-BN. X-BNs can be viewed as a mixture of w-BN and c-BN. Surprisingly, the transition from h-BN to X-BNs can occur simply through sliding and buckling of BN sheets. The calculated bulk modulus and densities of X-BNs match well with the experimental data. Our calculations predict that X-BNs are transparent wide band-gap insulators.
Original languageEnglish
Pages (from-to)38589-38593
Number of pages5
JournalRSC Advances
Volume4
Issue number73
DOIs
Publication statusPublished - 1 Jan 2014
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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