Phosphorus δ-doped silicon: mixed-atom pseudopotentials and dopant disorder effects.

Summary of "Phosphorus δ-doped silicon: mixed-atom pseudopotentials and dopant disorder effects."

Within a full density functional theory framework we calculate the band structure and doping potential for phosphorus δ-doped silicon. We compare two different representations of the dopant plane; pseudo-atoms in which the nuclear charge is fractional between silicon and phosphorus, and explicit arrangements employing distinct silicon and phosphorus atoms. While the pseudo-atom approach offers several computational advantages, the explicit model calculations differ in a number of key points, including the valley splitting, the Fermi level and the width of the doping potential. These findings have implications for parameters used in device modelling.


Nanochemistry Research Institute, Curtin University, Perth, WA, Australia.

Journal Details

This article was published in the following journal.

Name: Nanotechnology
ISSN: 1361-6528
Pages: 065701


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