Prediction of dopant ionization energies in silicon

The importance of strain

A. Rockett, D. D. Johnson, S. V. Khare, Blair Richard Tuttle

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Based on a hydrogenic state and strain changes upon defect charging, we propose a simple, parameter-free model that agrees well with the observed group III and V monovalent-impurity ionization energies in Si, revealing the importance of such strain effects. Changes in lattice strain upon defect charging are obtained via superposition and elasticity theory using atomic relaxations from density functional theory.

Original languageEnglish (US)
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume68
Issue number23
DOIs
StatePublished - Dec 30 2003

Fingerprint

Ionization potential
Silicon
charging
atomic theory
Doping (additives)
ionization
Defects
defects
silicon
predictions
Density functional theory
Elasticity
elastic properties
Impurities
density functional theory
impurities
energy

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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Prediction of dopant ionization energies in silicon : The importance of strain. / Rockett, A.; Johnson, D. D.; Khare, S. V.; Tuttle, Blair Richard.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 68, No. 23, 30.12.2003.

Research output: Contribution to journalArticle

TY - JOUR

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AU - Johnson, D. D.

AU - Khare, S. V.

AU - Tuttle, Blair Richard

PY - 2003/12/30

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