Narrow Results

The electronic band structure of AlN, AlSb, AlAs and their ternary alloys with In has been investigated by ETB. The ETB method has been formulated for sp³d² basis and nearest neighbor interactions of the compounds and its energy parameters have been derived from the results of the present first principles calculations carried on AlN, AlSb and AlAs. It has been found that the present ETB energy parameters can produce the band structure of the compounds and their ternary alloys with In successfully.

The electronic band structure of GaN and GaAs has been investigated by ETB to obtain the band gap bowing of In_xGa_1-xAs_1-yN_y alloys lattice matched to GaAs. The ETB method has been formulated for sp³d² basis and nearest neighbor interactions of the compounds, and its energy parameters have been derived from the results of the present first principles calculations carried out on GaN and GaAs. It has been found that the present ETB energy parameters are capable of producing the electronic band structure of corresponding compounds and the large bowing parameter of InGaAsN alloy.