Conductive Path Formation by Aggregated Oxygen Ions in Titanium Dioxide: First-Principles Analyses

A first-principle study on the conductive path formation induced by the aggregated O ions in the defected titanium dioxide (Ti12O29) is reported. The result illustrates that the O interstitials induce the aggregation of the O-ions. Thus, the formation of the conductive path is attributed to the continuous O-O bonds among these aggregated O-ions. In the I-V and R-V curves with the transmission coefficients, we find the resistance difference of the Pt/Ti12O29/Pt device.