4:00 PM - 6:00 PM
[18p-PB2-1] Orientation dependence of the penetration barrier of H2O molecule into SiO2 and Si3N4 films
Keywords:humid resistivity, crystal direction, molecular orbital calculation
In the previous report, a molecular orbital calculation showed that the humid resistivities of the SiO2 crystals are explained by the gap size in cristobalite, tridymite, quartz and coesite and are lesser than that of the Si3N4 crystal. In this report, we show the penetration barrier of the Si3N4 to the direction of [1000] could be higher than that of [0001]. However, the penetration barrier of the Si3N4 is considered to be maintained at high energy only within the a few atomic layers, because the H2O molecule changes the direction from [1000] to [0001] at the third layer from the Si3N4 crystal surface.