Electronic structure and radiative lifetimes of ideal Zn 1− xBe xSe alloys

Abstract

The electronic band structures of Zn 1− x Be x Se alloys are computed employing the virtual crystal approximation and empirical pseudopotentials. Pseudopotential form factors for ZnSe are fitted to experimentally determined critical point energies, and those for BeSe to generalized density functional theory computed band structures. The direct–indirect crossover alloy composition ratio is predicted to be x=0.43. At x=0.45, when Zn 1− x Be x Se is lattice matched to Si, radiative lifetimes of ideal structures are computed to be 4–6 μs over the 250–400 K temperature range.