[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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