The 90° partial dislocation in silicon: Geometry and electronic structure
- 1 November 1989
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine A
- Vol. 60 (5) , 643-651
- https://doi.org/10.1080/01418618908213885
Abstract
The core structure of the reconstructed 90° partial dislocation in silicon is obtained by energy minimization with respect to the Lifson—Warshel valence force field using periodic boundary conditions. A low strain energy attests to the stability of the reconstructed geometry. The electronic structure is calculated using a local pseudo-potential approach in an improved peripheral orbital treatment. The silicon indirect gap is found to be completely clear of dislocation levels, in agreement with experiment. Stacking-fault levels are found in the gap near the valence band edge in agreement with specialized stacking-fault energy level calculations.Keywords
This publication has 13 references indexed in Scilit:
- Molecular-cluster studies of defects in silicon lattices. III. Dangling-bond reconstruction at the core of a 90°partial dislocation in siliconPhysical Review B, 1988
- An improved peripheral orbital method for calculating the electronic structure of complex systems with a localised basisJournal of Physics C: Solid State Physics, 1986
- Line defects in silicon: The 90° partial dislocationPhysical Review B, 1984
- Core structure and electronic bands of the 90° partial dislocation in siliconPhilosophical Magazine Part B, 1984
- Structure of dislocation cores in the silicon crystalInternational Journal of Quantum Chemistry, 1983
- 30° Partial Dislocations in Silicon: Absence of Electrically Active StatesPhysical Review Letters, 1982
- Electrical properties of dislocation lines in siliconPhilosophical Magazine Part B, 1982
- Electronic structure of the unreconstructed 30° partial dislocation in siliconPhysical Review B, 1981
- New localized-orbital method for calculating the electronic structure of molecules and solids: Covalent semiconductorsPhysical Review B, 1980
- Electron states associated with partial dislocations in siliconPhysica Status Solidi (b), 1979