Work-Function Difference

This procedure takes a contact name (Contact, eg. Top), and the material the contact is made out of (Mat, e.g. Aluminum). It sets a contact equation in the pdb.

model

proc MetalContact {Contact Mat} {
   set WFN [pdbGetDouble $Mat WFN] 
   pdbSetBoolean $Contact DevPsi Flux 1
   pdbSetBoolean $Contact DevPsi Fixed 1
   pdbSetString  $Contact DevPsi Equation "DevPsi + $WFN - $Contact";# Efm+WFN=El=-DevPsi, Efm=-$Contact
}
#Example:
MetalContact Top Aluminum

warnings

You need to define a work-function for the material that your contact is made of, e.g.:

pdbSetDouble Aluminum 4.1