Abstract
A semi-empirical method, using SCF relationships for the determination of matrix elements and total energy is used to study the structure of mixed lithium and sodium clusters. The clusters are interesting in their own right and are studied by optimization geometry techniques. They will also be considered as a simulation of the solid state. In this case, one observes that the most electronegative atoms preferentially gather near the centre of the cluster. This general trend is in agreement with an electronic explanation of Guinier—Preston zone formation and therefore, in this paper we consider a cross-section of (100) and (111) planes in a f.c.c. lattice.
Published Version
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