Dw. Greig et Gs. Pawley, AN ORDERED STRUCTURE FOR BINARY-MIXTURES OF RARE-GAS ATOMS FROM NUMERICAL-SIMULATION, Molecular physics, 89(2), 1996, pp. 447-462
Simulations of clusters formed with equal proportions of Ar and Kr ato
ms suggest that under certain conditions a regular CsCl structure will
be formed on cooling. Comparison with similar studies of pure Kr syst
ems, both as clusters and in the bulk, strengthens the reliability of
these model calculations. Whether the proposed CsCl structure can actu
ally form is presented as a challenge to the experimentalists, especia
lly those doing molecular beam experiments. The formation of the CsCl
structure by slow annealing has been the most successful, but consider
able order is apparent even when the liquid cluster undergoes a very r
apid quench.