Gt. Delaissardiere et D. Mayou, CLUSTERS AND LOCALIZATION OF ELECTRONS IN QUASI-CRYSTALS, Physical review. B, Condensed matter, 55(5), 1997, pp. 2890-2893
We analyze the relationship between the tendency to electron localizat
ion, which is observed in many quasicrystals and approximants, and the
local atomic order. Starting from the structural models, we consider
atomic clusters that are embedded in a metallic medium, and we study t
heir scattering properties within the multiple-scattering formalism. W
e show that these local environments can lead to virtual bound states
for electrons, i.e., resonances of the wave function in clusters of di
fferent length scale. That is consistent with the tendency to localiza
tion shown by transport measurements or band-structure calculations. I
n agreement with the Hume-Rothery picture of quasicrystals, this tende
ncy to localization has a small effect on the total energy.