By using first-principles calculations, it was found that dimers on the N-terminated (100) surface of the cubic phase were arranged in long dimer rows having a (2 x 1) reconstruction. On the B-terminated (100) surface of the cubic phase, the dimers tended to form a (4 x 2) 3-dimer row and 1-shifted dimer pattern. Electronic structure calculations showed that the N-terminated and B-terminated (100) surfaces of cubic material were semi-metallic. A 2eV difference in work function between these 2 surfaces was found.

Reconstruction and Electronic Structure of the Vacancy-Free N- and B-Terminated c-BN (100) Surfaces. M.H.Tsai, C.F.Liu: Physical Review B, 2001, 63[7], 073305 (4pp)