Fig. 2: Electronic structure of the pentagon–heptagon Stone–Wales defect in hexagonal boron nitride. | npj Computational Materials

Fig. 2: Electronic structure of the pentagon–heptagon Stone–Wales defect in hexagonal boron nitride.

From: Stone–Wales defects in hexagonal boron nitride as ultraviolet emitters

Fig. 2

a HSE Kohn–Sham levels. b Corresponding defect wave functions for the empty state (top) and occupied state (bottom). The real space wave functions are visualized by cyan and mauve lobes representing the isosurface of the wave function at +0.0005 1/Å3 and −0.0005 1/Å3 values, respectively.

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