Electronic properties of delta-doped phosphorus layers in silicon and germanium

TL;DR

This paper introduces a computationally efficient self-consistent model combining Thomas-Fermi-Dirac approximation and tight binding methods to analyze the electronic properties of delta-doped phosphorus layers in silicon and germanium, enabling scalable nanoelectronic device simulations.

Contribution

It presents a novel, efficient modeling approach for delta-doped layers in silicon and germanium, improving scalability without losing accuracy compared to more rigorous methods.

Findings

First theoretical calculation of phosphorus delta-doped layers in germanium.

Demonstrates improved computational efficiency for large-scale simulations.

Provides electronic property data relevant for nanoelectronic device design.

Abstract

The Thomas-Fermi-Dirac (TFD) approximation and an sp3d5s* tight binding method were used to calculate the electronic properties of a delta-doped phosphorus layer in silicon. This self-consistent model improves on the computational efficiency of "more rigorous" empirical tight binding and ab initio density functional theory models without sacrificing the accuracy of these methods. The computational efficiency of the TFD model provides improved scalability for large multi-atom simulations, such as of nanoelectronic devices that have experimental interest. We also present the first theoretically calculated electronic properties of a delta-doped phosphorus layer in germanium as an application of this TFD model.