J. Phys. I France
Volume 4, Numéro 11, November 1994
Page(s) 1669 - 1697
DOI: 10.1051/jp1:1994214
J. Phys. I France 4 (1994) 1669-1697

Model of growth for long-range chemically ordered compounds : application to quasicrystals

Pascal Quémerais

Institut Laue-Langevin, Avenue des Martyrs, BP 156, 38042 Grenoble Cedex 09, France

(Received 25 May 1994, received in final form 27 July 1994, accepted 4 August 1994)

We propose an electronic model for the growth of long-range chemically ordered binary compounds. By varying one parameter, we show that a specific concentration can be dinamically selected and the associated chemical order propagated during a rapid solidification. The basic assumptions of the model are: 1) the diffusion inside the growing structure is frozen out, and 2) the "chemical" reconstruction at its surface remains free to occur. In a first step, we study two one-dimentional models and show that both periodic and quasi-periodic structures can be built-up one atom at a time, using an energetic rule of growth. The first model is phenomenological and includes classical interactions between the atoms, the second is a tight-binding model including quantum effects. We next discuss the possible application to quasicrystals and argue - with energetical considerations - that one possibilty for favoring systematically quasi-periodic structures is a growth mechanism wich uses clustrers preexisting in the liquid phase is building blocks of the solid phase.

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