Electronic structure models of phosphorus 0-doped silicon

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Electronic structure models of phosphorus 0-doped silicon

We report a density-functional theory treatment of phosphorus 0-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 el...

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Bibliographic Details
Main Authors:	Carter, Damien, Warschkow, O., Marks, Nigel, McKenzie, D.
Format:	Journal Article
Published:	American Physical Society 2009
Subjects:	elemental semiconductors density functional theory phosphorus silicon band structure
Online Access:	http://hdl.handle.net/20.500.11937/4207

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