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Dear all,

I am simulating an interface of a III-V semiconductor and a metal. As the bonding nature changes across the
interface ( semiconductor, semiconductor-metal, metal) I wondered what pseudo potentials were best to use possibly
depending on the site position with regard to the interface;e.g Hartree-Fock PSPs?

Kind wishes, Atefeh

How to get the psps for di-atomic and tri-atomic molecules? And how to create defects and vacancies in the system?
I am presently working with ZnO molecules.
please help me...

finally i got the answer..and it may be useful for someone having same question..
we don't have to get the psps separately for different compounds, we have to use the psps for its element.

pseudopotentials can also be measured by using metal atoms and analysing the meanfield deviations by varying the intensity of the magnetic field in the environment. This will be like cloud potentials. Possible applications are like measuring the pitch by varying the volume field in ferromagnetic musical tapes. Just a guess from my String Theoretic Econophysics research. I hope it is of some help. Earl Chair Prof. Dr. SKM QC EPS Fellow (In) MES MRES MAICTE