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We study the electronic structures of TiO2/Ti4O7 and Ta2O5/TaO2 interfacesusing the screened exchange (sX-LDA) functional. Both of these bilayerstructures are useful infrastructures for high performance RRAMs. We find thatthe system Fermi energies of both interfaces are just above the conduction bandedge of the corresponding stoichiometric oxides. According to the chargetransition levels of the oxygen vacancies in Ta2O5 and TiO2, the oxygenvacancies are stabilized at the -2 charged state. We propose to introduceinterfacial dopants to shift the system Fermi energies downward so that the +2charged oxygen vacancy can be stable, which is important for the controlledswitching under the electrical field. Several dipole models are presented toaccount for the ability of Fermi level shift due to the interfacial dopants.

The electronic structures of TiO2/Ti4O7, Ta2O5/TaO2 interfaces and the interfacial effects of dopants