The energetics and electronic structure of defective and irregular surfaces on MgO

Surface Science

Volumn 343, Issue 3, 1995, Pages 221-239

  Kantorovich, L N ^a   Holender, J M ^a   Gillan, M J ^a  

^a KEELE UNIVERSITY   (United Kingdom)

Author keywords

Density functional calculations; Electron density, excitation spectra calculations; Surface defects; Surface electronic phenomena; Surface relaxation and reconstruction; Surface structure, morphology, roughness, and topography

Indexed keywords

CALCULATIONS; DEFECTS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; INTERFACIAL ENERGY; MAGNESIA; MATHEMATICAL MODELS; MORPHOLOGY; RELAXATION PROCESSES; SURFACE PHENOMENA; SURFACE ROUGHNESS; SURFACE STRUCTURE;

DENSITY FUNCTIONAL PSEUDOPOTENTIAL CALCULATIONS; ENERGETICS; EXCITATION SPECTRA CALCULATIONS; SIMPLE INTERACTION MODELS; SURFACE DEFECTS; SURFACE ELECTRONIC PHENOMENA; SURFACE RECONSTRUCTION; SURFACE RELAXATION; TOPOGRAPHY;

SURFACES;

EID: 0029543675     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(95)00844-6     Document Type: Article

References (73)

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5. The MgO(110) surface and CO adsorption thereon. I. Clean (110) surface
6. Electronic structure and relative stability of the MgO (001) and (111) surfaces
7. The Energetics of Frenkel Defects in Li2O from First Principles
8. The electronic structure of h.c.p. Ytterbium
9. Improved tetrahedron method for Brillouin-zone integrations
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13. The mechanism and kinetics of evaporation from laser irradiated UO2 surfaces