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

Figure 2

(a) Relative ionization energy (IE) for acceptor and donor states in C-doped h-BN monolayers as a function of applied strain. (b) Contour plot of electron density of C-doped -BN monolayer at the point of the CBM, where B atom is replaced by C atom. Reproduced with permission from [41]; copyright 2016, the American Physical Society.

(a)

(b)