Formation and Physical Properties of h-BN Atomic Layers: A First-Principles Density-Functional Study

Figure 1

(a) Schematic view of h-BN monolayers for atomic vacancies. (b) Total energy and N-N distance near defect as a function of imposed magnetic moment. Reproduced with permission from [24]; copyright 2012, the American Institute of Physics.

(a)

(b)