[Wien] band offset

jrosad2 jrosad2 at uic.edu
Thu Oct 14 08:27:58 CEST 2004


Dear Wien users,

I'm a chemical engineering graduate student and have very little experience 
with computational software.  I've successful created bandstructures and used 
other Tasks using the Wien2k_03 version.

I would like to calculate band offsets for Si/oxide systems.  I'm aware of 
methods to estimate the offset from the bulk, such as using electron 
affinities or finding the charge neutrality layers, but I want to include the 
interfacial effects.



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