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.
Source:IOPscience
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