eCommons

 

Development Of Tersoff Potential Models To Study Silicon Dopant Activation In Indium Gallium Arsenide

Other Titles

Abstract

A parameterization of the Abell-Tersoff potential is presented for all pairwise interactions of silicon atoms with each of the elemental components comprising InGaAs. That is, Tersoff models are provided for Si-In, Si-Ga and Si-As. Data obtained using ab initio pseudopotential calculations (DFT+GGA) were used as the reference information against which the Tersoff parameters were fitted, since experimental data are unavailable for the Si-X systems considered here. These sets of Tersoff parameters are optimized to describe the structural and elastic properties of the mostly theoretical alloys Si-As, Si-Ga and SI-In. We demonstrate the transferability of these parameters by partially predicting the defect formation energies of extrinsic point defects of Si across ternary InGaAs alloys with different local configurations. Comparison is made to a newly created DFT/GGA database of defect formation energies, showing that correct trends can be reproduced by the Tersoff models, given sensitive adjustments to a Tersoff model parameter, .

Journal / Series

Volume & Issue

Description

Sponsorship

Date Issued

2014-08-18

Publisher

Keywords

Abell-Tersoff Model; InGaAs; Dopant activation

Location

Effective Date

Expiration Date

Sector

Employer

Union

Union Local

NAICS

Number of Workers

Committee Chair

Clancy, Paulette

Committee Co-Chair

Committee Member

Thompson, Michael Olgar

Degree Discipline

Materials Science and Engineering

Degree Name

M.S., Materials Science and Engineering

Degree Level

Master of Science

Related Version

Related DOI

Related To

Related Part

Based on Related Item

Has Other Format(s)

Part of Related Item

Related To

Related Publication(s)

Link(s) to Related Publication(s)

References

Link(s) to Reference(s)

Previously Published As

Government Document

ISBN

ISMN

ISSN

Other Identifiers

Rights

Rights URI

Types

dissertation or thesis

Accessibility Feature

Accessibility Hazard

Accessibility Summary

Link(s) to Catalog Record