Affordable Access

Publisher Website

Large supercell molecular dynamics study of defect formation in hydrogenated amorphous silicon

Authors
Journal
Journal of Physics and Chemistry of Solids
0022-3697
Publisher
Elsevier
Publication Date
Volume
63
Issue
9
Identifiers
DOI: 10.1016/s0022-3697(01)00255-4
Keywords
  • A. Amorphous Materials
  • D. Defects

Abstract

Abstract We have performed molecular dynamics simulations of the defect formation associated with the Staebler–Wronski (SW) effect in a-Si:H using 224 and 231 atom supercells and employing semiempirical Si–Si and Si–H total energy functionals. The role of hydrogen in the defect formation within the bond breaking model of the SW effect has been investigated for both large supercells. The results suggest that, within this model, H can be important in weakening the normal Si–Si bonds which break to produce defects in the SW effect.

There are no comments yet on this publication. Be the first to share your thoughts.

Statistics

Seen <100 times
0 Comments

More articles like this

Study of the stability of hydrogenated amorphous s...

on Journal of Non-Crystalline Sol... Jan 01, 1998

Bonding and diffusion in hydrogenated amorphous si...

on Materials Science and Engineer...

Transient modulated photocurrent studies in hydrog...

on Journal of Non-Crystalline Sol... Jan 01, 1995

Kinetics of defect formation by illumination at te...

on Journal of Non-Crystalline Sol... Jan 01, 1998
More articles like this..