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Grain Boundary Scattering doping problem
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Topic: Grain Boundary Scattering doping problem (Read 7538 times)
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Anders Blom
QuantumATK Staff
Supreme QuantumATK Wizard
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Re: Grain Boundary Scattering doping problem
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Reply #15 on:
October 17, 2024, 08:23 »
The total energy is only used to compute the formation energy of the grain boundary. If you don't need that, you can of course skip it.
Not sure why the Sigma3 gives a finite transmission, but as you noted, it will generally not be the case.
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Grain Boundary Scattering doping problem