Structural and electronic properties of carbon-doped c-BN(110) surface

KÖKTEN H., ERKOÇ Ş.

PHYSICA B-CONDENSED MATTER, vol.404, pp.4937-4938, 2009 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 404
  • Publication Date: 2009
  • Doi Number: 10.1016/j.physb.2009.08.258
  • Journal Name: PHYSICA B-CONDENSED MATTER
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.4937-4938
  • Middle East Technical University Affiliated: Yes

Abstract

The structural and electronic properties of a substitutional C atom in a neutral charge state on both the B and N site of the c-BN(110) surface have been investigated from a theoretical point of view using density functional theory. The impurity formation energies [unrelaxed (E(f)(0)) and relaxed (E(f))] are reported for the first time for the c-BN(110) surface. (C) 2009 Elsevier B.V. All rights reserved.