Structural and electronic properties of carbon-doped c-BN(110) surface
PHYSICA B-CONDENSED MATTER, vol.404, pp.4937-4938, 2009 (SCI-Expanded, Scopus)
- 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.