Structure of the (0001) surface of α-Al2O3 from first principles calculations
- 1 April 1993
- journal article
- Published by Elsevier in Surface Science
- Vol. 285 (3) , L517-L521
- https://doi.org/10.1016/0039-6028(93)90423-h
Abstract
No abstract availableThis publication has 17 references indexed in Scilit:
- The Energetics of Frenkel Defects in Li 2 O from First PrinciplesEurophysics Letters, 1992
- Defect energetics in oxide materials from first principlesPhysical Review Letters, 1992
- Ab initiototal-energy calculations for extremely large systems: Application to the Takayanagi reconstruction of Si(111)Physical Review Letters, 1992
- Optimized pseudopotentialsPhysical Review B, 1990
- Atomistic simulation of the surfaces of oxidesJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1989
- Nonlocal pseudopotentials in molecular-dynamical density-functional theory: Application toPhysical Review Letters, 1987
- The theory of the cohesive energies of solidsAdvances in Physics, 1987
- Efficacious Form for Model PseudopotentialsPhysical Review Letters, 1982
- Defect energetics in - and rutile TiPhysical Review B, 1982
- Special points for Brillouin-zone integrationsPhysical Review B, 1976