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Electronic structure of alumina surface

✍ Scribed by L. Turi Nagy; M. Micov; Ľ. Benco; M. Liška; P. Mach; D. Tunega

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
287 KB
Volume
70
Category
Article
ISSN
0020-7608

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✦ Synopsis

The electronic structure of the 001 and 110 ␣-alumina surfaces was Ž . determined by periodic Hartree᎐Fock method in statically relaxed geometries. Both 001 Ž . and 110 surfaces generate specific surface states into the energy gap. Significant influence of charge-transfer effect on the surface᎐adsorbate potential is possible in both cases studied. The inclusion of the exponential part to the standard potential forms was suggested for the description of the interaction potential in such cases.

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