Work-Function Difference: Difference between revisions

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(New page: 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 Meta...)
 
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  MetalContact Top Aluminum
  MetalContact Top Aluminum


==== warnings ====
==== Notes ====
You need to define a work-function for the material that your contact is made of, e.g.:
You need to define a work-function for the material that your contact is made of, e.g.:
  pdbSetDouble Aluminum 4.1
  pdbSetDouble Aluminum 4.1

Revision as of 20:34, 17 August 2010

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

Notes

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

pdbSetDouble Aluminum 4.1