Band crossing in isovalent semiconductor alloys with large size mismatch: First-principles calculations of the electronic structure of Bi and N incorporated GaAs

For large size- and chemical-mismatched isovalent semiconductor alloys, such as N and Bi substitution on As sites in GaAs, isovalent defect levels or defect bands are introduced. The evolution of the defect states as a function of the alloy concentration is usually described by the popular phenomenological band anticrossing (BAC) model. Using first-principles band-structure calculations we show that at the impurity limit the N-(Bi)-induced impurity level is above (below) the conduction- (valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

ELECTRICAL CHARACTERS OF OXYGEN DEFECTS IN SILICON SUBJECTED TO INTRINSIC GETTERING TREATMENT

The influence of oxygen defects on the resistivity and mobility of silicon wafers is discussed. Grinding processes were performed on the surfaces of samples in order to obtain the information on interior defects of the samples. Spreading resistivity and Hall measurements prove that SiO(x) complexes alone result in resistivity increase and mobility decrease. Deep level transient spectroscopy experiments prove that SiO(x) complexes alone are electrically active. A mechanism of carrier scattering by electrically active SiO(x) complex is proposed to explain the changes of resistivity and mobility.