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Add ability to specify doping density in steady charge transport simulations #81

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MikeHeiber opened this issue Jan 23, 2019 · 0 comments
Open

Add ability to specify doping density in steady charge transport simulations #81

MikeHeiber opened this issue Jan 23, 2019 · 0 comments
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feature request Specific new or improved simulation features that make the software tool more valuable to users.

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@MikeHeiber
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User would specify the hole dopant density and dopant LUMO energy. Then, the simulation could randomly place fixed negative ionic dopants in the lattice and modify the energies of the sites surrounding the dopant sites using the calculated Coulomb potential energy. The lattice would then be initialized with hole polarons on the dopant sites.
@MikeHeiber MikeHeiber added the feature request Specific new or improved simulation features that make the software tool more valuable to users. label Jan 23, 2019
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feature request Specific new or improved simulation features that make the software tool more valuable to users.
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@MikeHeiber