A systematic study of the surface energetics and structure of TiO2(110) by first-principles calculations
- 10 August 1997
- journal article
- Published by Elsevier in Surface Science
- Vol. 385 (2-3), 386-394
- https://doi.org/10.1016/s0039-6028(97)00265-3
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Adsorption of atomic oxygen on the MgO (100) surfaceJournal of the Chemical Society, Faraday Transactions, 1996
- Electronic and geometrical structure of rutile surfacesPhysical Review B, 1994
- Norm-conserving and ultrasoft pseudopotentials for first-row and transition elementsJournal of Physics: Condensed Matter, 1994
- Structure and Energetics of Alumina Surfaces Calculated from First PrinciplesJournal of the American Ceramic Society, 1994
- Electronic structure and relaxed geometry of therutile (110) surfacePhysical Review B, 1994
- Special points for Brillouin-zone integrationsPhysical Review B, 1976
- Lattice Dynamics of RutilePhysical Review B, 1971
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964