6533b7d0fe1ef96bd125b5f1
RESEARCH PRODUCT
Atomic and Electronic Structure of the Corundum (0001) Surface
Eugene A. KotominV. E. PuchinAlexander L. Shlugersubject
Surface (mathematics)Materials sciencePlane (geometry)MetastabilityPhysics::Atomic and Molecular ClustersengineeringSlabRelaxation (physics)CorundumElectronic structureengineering.materialMolecular physicsSpectral linedescription
AbstractThe electronic structure and geometry of the Al terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 Å, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS Hel) and metastable impact electron spectra (MIES) is given. Calculated projected densities of states exhibit a strong dependence on the relaxation of surface atoms.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1996-01-01 | MRS Proceedings |