Prediction of dopant ionization energies in silicon: The importance of strain

A. Rockett, D. D. Johnson, S. V. Khare, B. R. Tuttle

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

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

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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