Adiabatic potentials for weak-bond/dangling-bond conversion model in a-Si:H

The tight-binding molecular-like approach was used to analyse properties of an isolated silicon dangling bond in a-Si:H and two interacting dangling bonds. Energy characteristics and equilibrium displacements of differently charged dangling bonds were found from adiabatic potentials and compared wit...

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Bibliographic Details
Published in:Journal of non-crystalline solids 1993-01, Vol.152 (2), p.237-245
Main Authors: Taraskin, S.N., Ivliev, S.V., Klinger, M.I.
Format: Article
Language:English
Subjects:
Amorphous materials
Mathematical models
Molecular physics
Thermodynamic properties
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Summary:The tight-binding molecular-like approach was used to analyse properties of an isolated silicon dangling bond in a-Si:H and two interacting dangling bonds. Energy characteristics and equilibrium displacements of differently charged dangling bonds were found from adiabatic potentials and compared with experimental values. The ground-state branch of adiabatic potential for two interacting dangling bonds was studied. The weak bond breaking into two metastable dangling bonds is referred to transition between two minima of adiabatic potential. The region of parameters of the system at which the double-well potential exists was investigated. The magnitude of the energy barrier between these minima was estimated.
ISSN:0022-3093
1873-4812
DOI:10.1016/0022-3093(93)90257-X