Pseudopotentials which were used in discussions of the cohesive mechanism of Si are reinvestigated on a view of atom energy. It is shown what kind of pseudopotential must be chosen in the calculation of the crystal energy of polyvalent crystals such as Si.

Abstract

Pseudopotentiale, die in den Diskussionen des Kohäsionsmechanismus von Si benutzt wurden, werden vom Standpunkt der Atornenergie aus wieder untersucht. Es wird gezeigt, was für ein Pseudopotential ber der Berechnung der Kristallenergie eines Polyvalenzkristalls wie Si gewählt werden muß.

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Volume101, Issue1

1 September 1980

Pages 373-376

Atomic Pseudopotential of Polyvalent Crystals Such as Si

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Atomic Pseudopotential of Polyvalent Crystals Such as Si

Abstract

Abstract

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