I want to calculate the dielectric function and optical conductivity of Al and Cu and some of their alloys. Now, for that I had chosen a 13 atoms icosahedral strcuture of Al and Cu.
But I think, dielectric function and optical conductivity can't be justified for a cluster. For measuring these properties the material have to be a periodic solid one instead of a cluster. Am I right?
So, can anyone suggest what calculation can be done to predict the plasmonic qualities of a 13-atoms cluster? Or, it is not possible to calculate the plasmonic properties in a 13 atoms level?
Hi,
In my opinion, there are many unjustified assumtions to use bulk dielectric functions, so that these calculations should be done under a quantum approach (just 13 atoms ...). Plasmonic properties strongly depend on the dielectric function, and dielectric function strongly depends on the ammount of atoms, shape and structure of the material. It is roughly accepted that quantum theories should be applied in order to do calculations with particles under 10 nm or with particle clusters with interparticle gap smaller than 3 nm. You can find more information in the following references and their bibliography:
-DOI: 10.1364/OL.37.005015
-DOI: 10.1038/ncomms1806
-DOI: 10.1364/OE.21.027306
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