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Work function of oxides
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Topic: Work function of oxides (Read 2672 times)
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ams_nanolab
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Work function of oxides
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on:
February 3, 2015, 07:04 »
Is it possible to simulate the workfunction of oxides and electron affinity of semiconductors in ATK. There's a tutorial for metals, but is the same methodology applicable for other materials?
http://quantumwise.com/publications/tutorials/item/499-computing-the-work-function-of-a-metal-surface-using-ghost-atoms
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Umberto Martinez
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Re: Work function of oxides
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Reply #1 on:
February 3, 2015, 15:13 »
yes you can follow the same procedure, also reported in here
http://quantumwise.com/publications/tutorials/item/519-tuning-the-work-function-of-silver-by-deposition-of-ultrathin-oxide-layers
be aware of the definition of electron affinity in an oxide/semiconductor. Search in the forum, this topic has been discussed already.
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