Quantum confinement energies in zinc-blende III-V and diamond IV semiconductors

Blueshift of the band gap due to quantum confinement is calculated in a tight-binding model for a series of nine III–V zinc-blende AB (A=Al, Ga, or In, B=As, P, or Sb) and two diamond group-IV (Si and Ge) semiconductor clusters. Analytic expressions for the highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels are given as a function of the cluster size. Comparison is made to results obtained by the pseudopotential method and to experimental result