ISSN:
1063-7826
Source:
Springer Online Journal Archives 1860-2000
Topics:
Electrical Engineering, Measurement and Control Technology
,
Physics
Notes:
Abstract The electronic properties of defects with various spatial configurations are examined in relation to corresponding sets of valence bonds. The examination is based on the analysis of the energy functional, in which the elastic energy in the anharmonic approximation, the variation in the electronic term of the defect quasi-molecule defined by the electron localization, and Hubbard’s interaction energy are taken into account. Two types of such defects are recognized, namely, the defects with strong and weak electron-atom interaction. For defects of the first type, which are characterized by positive effective correlation energy, no variations of the adiabatic potential topology are observed after the electron localization. The pair of carbon atoms (CiCs) and donor-acceptor pairs in the crystalline silicon belong to this type of defect. The effective occupancy is calculated for this type of defects as a function of adiabatic potential parameters. Transformation of the initial double-well potential into the single-well potential after the localization of the carriers is substantial for the properties of the second type defects. In this case, the effective correlation energy can be either positive or negative. The analysis of the known experimental results permits us to assume that the interstitial boron atom in silicon belongs to this type of defect. The adiabatic potential (in which the interstitial boron atom moves), the activation energies for transitions between different charge states of this defect, and the effective occupancy are calculated from the experimental data reported by Watkins.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1134/1.1187922
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