Abstract
AbstractThe periodic models of aperiodic systems are described. For the point defects supercell and cyclic cluster models are compared for the oxygen vacancy in the corundum Al2O3. The single and repeated slab models of (001) surface of MgO crystal are compared using the results of LCAO Hartree–Fock and DFT calculations. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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