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

Phosphorus d-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 d-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 arr...

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Bibliographic Details
Main Authors: Carter, Damien, Marks, Nigel, Warschkow, O., McKenzie, D.
Format: Journal Article
Published: IOP 2011
Subjects:
Phosphorus d-doped silicon
Online Access:http://stacks.iop.org/Nano/22/065701
http://hdl.handle.net/20.500.11937/24873

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