STRUCTURAL AND ELECTRONIC PROPERTIES OF c-BN(110) SURFACE AND SURFACE POINT DEFECTS
2006 ◽
Vol 17
(06)
◽
pp. 795-803
◽
Keyword(s):
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 [Formula: see text] and relaxed (Ef)] are reported for the first time for c-BN(110).