A rereading of the Fumi and Tosi paper on the ionic sizes and Born repulsive parameters in the alkali halides family led us to draw a parallelism with recent total-energy calculations for semiconductors, wherethe Coulombic interactions are substituted by a semi-empirical tight-binding estimation of the covalent attraction and the repulsive term is still of Huggins-Mayer form. We find that for crystalline silicon the hardness parameter rho is surprisingly the same as for the alkali halides
Miglio, L., Malegori, G. (1993). Structural and Dynamic Properties of Silicon in a "Covalent" Huggins-Mayer Scheme. Intervento presentato a: Symposium on Trends in Solid-State Physics, in Honour of Fausto Fumi, Pisa, Scuola Normale Superiore, Italy [10.1007/BF02456929].
Structural and Dynamic Properties of Silicon in a "Covalent" Huggins-Mayer Scheme
MIGLIO, LEONIDA;
1993
Abstract
A rereading of the Fumi and Tosi paper on the ionic sizes and Born repulsive parameters in the alkali halides family led us to draw a parallelism with recent total-energy calculations for semiconductors, wherethe Coulombic interactions are substituted by a semi-empirical tight-binding estimation of the covalent attraction and the repulsive term is still of Huggins-Mayer form. We find that for crystalline silicon the hardness parameter rho is surprisingly the same as for the alkali halides
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