STRUCTURAL AND ELECTRONIC PROPERTIES OFc-BN(110) SURFACE AND SURFACE POINT DEFECTS

Hatice Kökten () and Şakir Erkoç
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Hatice Kökten: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
Şakir Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2006, vol. 17, issue 06, 795-803

Abstract: 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$(E_f^\circ)$and relaxed(Ef)] are reported for the first time forc-BN(110).

Keywords: BN crystal; Hartree-Fock method; density functional theory; point defects energies (search for similar items in EconPapers)
Date: 2006
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DOI: 10.1142/S0129183106009308

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