Electronic structure and lattice properties of zinc-blende InN under high pressure

Dependencies of electronic structure and lattice properties of InN with zinc-blende structure on hydrostatic pressure are presented based on band structures computed using the empirical pseudopotential method. The pressure behavior of the pseudopotential form factors have been analyzed. The effect of pressure on the density of states has been examined. Trends in bonding and ionicity under pressure are also discussed. Our results show as well that the absolute value of the Fourier transform of the valence charge density might be useful in the prediction of the phase transition in zinc-blende materials

Theoretical study of electronic and positronic properties in Ga

The electronic and positronic properties of the pentanary semiconductor alloys Gaxln1-xPySbzAs1-y-z lattice matched to GaSb have been studied. The electron wave function is calculated semiempirically using the pseudopotential band model under the virtual crystal approximation. The positron wave function is evaluated under the point core approximation for the ionic potential. Electronic and positronic quantities namely, electronic structure and band gaps, positron band structure, effective mass and affinity, and electron-positron momentum densities have been predicted and their dependence on the phosphorus composition has been discussed

Band gaps and charge distribution in quasi-binary (GaSb)

Pseudopotential investigation of energy band gaps and charge distribution in quasi-binary (GaSb)1-x(InAs)x crystals has been reported. To the best of our knowledge, there had been no reported theoretical work on these materials. In agreement with experiment, the quasi-binary crystals of interest showed a significant narrowing of the optical band gap compared to the conventional GaxIn1-xAsySb1-y quaternary alloys (with $x=1-y$). Moreover, the absorption at the optical gaps indicated that (GaSb)1-x(InAs)x is a direct Γ to Γ band-gap semiconductor within a whole range of the x composition. The information derived from the present study predicts that the band gaps cross very important technological spectral regions and could be useful for thermophotovoltaic applications