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Prediction of dopant ionization energies in silicon: The importance of strain
Physical Review B (2003)
  • A. Rockett, University of Illinois at Urbana-Champaign
  • Duane D. Johnson, University of Illinois at Urbana-Champaign
  • S. V. Khare, University of Illinois at Urbana-Champaign
  • B. R. Tuttle
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.
Publication Date
December 15, 2003
Publisher Statement
Copyright 2003 American Physical Society
Citation Information
A. Rockett, Duane D. Johnson, S. V. Khare and B. R. Tuttle. "Prediction of dopant ionization energies in silicon: The importance of strain" Physical Review B Vol. 68 Iss. 23 (2003)
Available at: http://works.bepress.com/duane_johnson/52/