Understanding structure and electronic properties of extended self-interstitial defects in silicon
Conference
·
OSTI ID:20015002
The results of an atomistic investigation on the coalescence mechanisms of self-interstitial {l{underscore}brace}311{r{underscore}brace} defects are presented. Formation energies and equilibrium configurations of defect structures are determined by tight-binding molecular dynamics simulation. The authors focus on the characterization of the lattice strain field around the defect complex: By means of the determination of the atomic stress distribution, they discuss how it may influence the formation mechanisms of the plana {l{underscore}brace}311{r{underscore}brace} structures. The authors also attempt a correlation between structural features and electronic properties through the analysis of defect-related orbitals occupations and inverse participation ratios.
- Research Organization:
- INFM, Milano (IT)
- OSTI ID:
- 20015002
- Country of Publication:
- United States
- Language:
- English
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