Matches in SemOpenAlex for { <https://semopenalex.org/work/W2328241741> ?p ?o ?g. }
- W2328241741 abstract "Effects of stacking behavior of hexagonal basal layers to the structural stability and electronic properties of h-BN were investigated thoroughly using first-principles calculations based on the density-functional theory local-density approximation. Three of five possible h-BN structures with ``good'' stacking were found to be stable or substable. Considering that intrinsic stacking fault exist in real h-BN crystals which results in mixed stacking behavior, the experimentally observed large interlayer spacing of structures with stacking disorder such as PBN and t-BN can be understood. A substable structure with a direct band gap of about 3.395 eV was predicted. The existence of this substable structure and related intrinsic stacking fault in real h-BN explains the discrepancy in the nature of the band gap and the large variation in the observed band-gap values of h-BN." @default.
- W2328241741 created "2016-06-24" @default.
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- W2328241741 date "2003-09-02" @default.
- W2328241741 modified "2023-10-14" @default.
- W2328241741 title "Structural and electronic properties of<i>h</i>-BN" @default.
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- W2328241741 doi "https://doi.org/10.1103/physrevb.68.104102" @default.
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