Structural and electronic properties of c-BN(110) surface and surface point defects

Kokten H., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.17, no.6, pp.795-803, 2006 (SCI-Expanded) identifier identifier


The surface structure, surface energy, and surface vacancy formation energy for B and N vacancy of the cubic boron nitride (c-BN)(110) surface have been investigated by performing Hartree-Fock and DFT calculations. Results are compared with available literature values. The vacancy formation energies [unrelaxed (E-f(o)) and relaxed (E-f)] axe reported for the first time for c-BN(110).