AVS 50th International Symposium
    Electronic Materials and Devices Monday Sessions
       Session EM+SC-MoA

Paper EM+SC-MoA9
The Effect of Strain on Impurity States in Si and Methods of Calculation Thereof

Monday, November 3, 2003, 4:40 pm, Room 321/322

Session: Defects and Interfaces in Electronic Materials and Devices
Presenter: A. Rockett, University of Illinois
Authors: A. Rockett, University of Illinois
D.D. Johnson, University of Illinois
B.R. Tuttle, University of Pennsylvania
S.V. Khare, University of Illinois
Correspondent: Click to Email
We propose a simple model for estimating the contribution of strain to the ionization energy of defect states in semiconductors. The model is illustrated for group III and V impurities in Si. The approach uses an extrapolation technique to determine the ionization energies from the results of density functional theory (DFT) calculations. The method is shown to produce reliable results for a range of dopants with no parameters and none of the usual corrections requried in DFT. The results are generalized through an analysis of the resulting energies based on a screened electrostatic interaction, strain, and a bonding localization term.