Effect of C and H contamination on the MgO surface properties studied using the first-principles method

AbstractIn the former experiment, the effect of aging temperature on the discharge characteristics of the magnesium oxide (MgO) film of the alternating-current plasma display panel was investigated from the point of view of surface contamination. It was found that C and H surface contamination can affect the surface properties, such as the surface conductivity and secondary electron emission (SEE) yield, of the MgO surface. For a better understanding of the effect of C and H contamination on the MgO surface properties, the electronic structures of C- and H-adsorbed MgO (100) surfaces were calculated through the first-principles method, using Cambridge Serial Total Energy Package. The occupied defect levels of the C-adsorbed MgO (100) surface, which lie in the mid-gap, play an important role in the potential emission mechanism of SEE. More C contamination at the MgO surface can induce more SEE and can thus reduce the firing voltage for discharge. The Fermi level of the H-adsorbed MgO (100) surface cuts the bottom edge of the conduction band, which means that the H-adsorbed MgO (100) surface reveals n-type conductivity. More H contamination at the MgO surface can reduce the wall charge accumulation ability and can thus increase the sustain voltage for discharge.