The Analysis of the Transformation Mechanism of cBN Crystals with the First-Principle Calculation

Figure 2

Schematic view of supercells for cBN along the <001> axis: (a) (111)-B slab with 13 layers, (b) (111)-N slab with 13 layers, (c) (100)-B slab with 9 layers, (d) (100)-N slab with 9 layers, and (e) (110) slab with 11 layers. The gray and blue spheres represent B and N atoms, respectively.

(a)

(b)

(c)

(d)

(e)