Novel Method Based on Quantum Chemistry for Calculation of Ion Induced Secondary Electron Emission Coefficient of MgO Surfaces

概要

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High ion induced secondary electron emission (IISEE) coefficient ($\gamma$) MgO protecting layers are required in order to decrease the firing voltage of plasma display panels (PDPs). Theoretical calculation of $\gamma$ for MgO surfaces provides an effective way to design better protecting layers. Here, we have developed a novel $\gamma$ value estimation method based on an ultra accelerated quantum chemical molecular dynamics simulation considering the collision effect of Ne+ into a flat MgO(100) surface. Compared with experimentally obtained results, our estimated $\gamma$ values are only marginally different. Our study shows that $\gamma$ is primarily influenced by impact sites and Ne+ acceleration voltage. To interpret the behavior of $\gamma$ in terms of these two variables, we analyzed the electronic structure of the MgO surface during the collision of Ne+. Our analyses show that the work function depends on impact sites and Ne+ acceleration voltage since Ne+ interacts with the surface. Our newly developed methodology enabled $\gamma$ estimation from quantum chemical instances alone, considering the effect of Ne+ collision onto the MgO surface.
2009-04-25