Extended Si defects
Materials Science
2009-10-28 v1
Abstract
We perform total energy calculations based on the tight-binding Hamiltonian scheme (i) to study the structural properties and energetics of the extended {311} defects depending upon their dimensions and interstitial concentrations and (ii) to find possible mechanisms of interstitial capture by and release from the {311} defects. The generalized orbital-based linear-scaling method implemented on Cray-T3D is used for supercell calculations of large scale systems containing more than 1000 Si atoms.
Cite
@article{arxiv.cond-mat/9611145,
title = {Extended Si defects},
author = {Jeongnim Kim and John W. Wilkins and Furrukh S. Khan and Andrew Canning},
journal= {arXiv preprint arXiv:cond-mat/9611145},
year = {2009}
}
Comments
31 pages, LaTeX file, and 8 figures in postscript files, submitted to PRB