Large Neutral Barrier at Grain Boundaries in Chalcopyrite Thin Films

The electronic structure of grain boundaries in polycrystalline Cu(In;Ga)Se-2 thin films and their role on solar cell device efficiency is currently under intense investigation. A neutral barrier of about 0.5 eV has been suggested as the reason for the benign behavior of grain boundaries in chalcopyrites. Previous experimental investigations have in fact shown a neutral barrier but only a few 10 meV high, which cannot be expected to have a significant influence on the solar cell efficiency. Here we show that a full investigation of the electrical behavior of charged and neutral grain boundaries shows the existence of an additional narrow neutral barrier, several 100 meV high, which is tunneled through by the majority carriers but is sufficiently high to explain the benign behavior of the grain boundaries.