Low work function of the (1000) Ca2N surface

Abstract

Polymer diodes require cathodes that do not corrode the polymer but do have low work function to minimize the electron injection barrier. First-principles calculations demonstrate that the work function of the (1000) surface of the compound Ca2N is half an eV lower than that of the elemental metal Ca (2.35 vs 2.87eV). Moreover, its reactivity is expected to be smaller. This makes Ca2N an interesting candidate to replace calcium as cathode material for polymer light emitting diode devices.