Electronic structure models of phosphorus delta-doped silicon

Carter  DJ; Warschkow  O; Marks  NAMcKenzie  DR

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Electronic structure models of phosphorus delta-doped silicon

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We report a density-functional theory treatment of phosphorus 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 delta-doping potentials in smaller systems are adequately captured using a uniform band alignment shift.

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《Physical review, B. Condensed matter and materials physics》 |2009年第3期|033204-1-033204-4-0|共4页
作者
Carter DJ; Warschkow O; Marks NAMcKenzie DR;
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作者单位

[Carter, DJ;

Warschkow, O;

McKenzie, DR] Univ Sydney, Sch Phys, Ctr Quantum Comp Technol, Sydney, NSW 2006, Australia[Marks, NA] Curtin Univ Technol, Nanochem Res Inst, Perth, WA 6845, Australia;

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原文格式 PDF
正文语种英语
中图分类固体物理学;
关键词
band structure; density functional theory; elemental semiconductors; phosphorus; silicon; LAYERS; SUPERLATTICES; SI;

Electronic structure models of phosphorus delta-doped silicon

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