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• W2025745640 abstract "We report a density-functional theory treatment of phosphorus $ensuremath{delta}$-doped silicon. Using large asymmetric unit cells with up to 800 atoms, we obtain first-principles doping potentials, band energies, and donor-electron distributions. The explicit and nonempirical description of both valence and donor electrons improves upon previous models of this system. The effects of overlapping $ensuremath{delta}$-doping potentials in smaller systems are adequately captured using a uniform band alignment shift." @default.
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• W2025745640 date "2009-01-29" @default.
• W2025745640 modified "2023-09-28" @default.
• W2025745640 title "Electronic structure models of phosphorus<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>δ</mml:mi></mml:math>-doped silicon" @default.
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• W2025745640 doi "https://doi.org/10.1103/physrevb.79.033204" @default.
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