The effect of a stacking fault on the electronic properties of dopants in gallium arsenide
T M Schmidt; J F Justo; A Fazzio
Журнал:
Journal of Physics: Condensed Matter
Дата:
2000-12-11
Аннотация:
We performed a theoretical investigation on the effects of extended defects on the structural and electronic properties of dopant atoms in gallium arsenide. We observed that silicon impurities segregate at GaAs stacking faults. A Si atom at a Ga site in a stacking fault in either a neutral or a negatively charged state is energetically favourable as compared to a Si atom at a Ga site in a crystalline environment by as much as 0.2 eV. Additionally, a substitutional Si impurity in the negative charge state in a stacking fault has a distinct structure as compared to the same impurity in a crystal. The results suggest that the stacking fault may prevent the formation of metastable defects, such as DX centres.
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