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Reversible resistive switching between high-resistance and low-resistancestates in metal-oxide-metal heterostructures makes them very interesting forapplications in random access memories. While recent experimental work hasshown that inserting a metallic "oxygen scavenger layer" between the positiveelectrode and oxide improves device performance, the fundamental understandingof how the scavenger layer modifies heterostructure properties is lacking. Weuse density functional theory to calculate thermodynamic properties andconductance of TiN/HfO$_2$/TiN heterostructures with and without Ta scavengerlayer. First, we show that Ta insertion lowers the formation energy oflow-resistance states. Second, while the Ta scavenger layer reduces theSchottky barrier height in the high-resistance state by modifying the interfacecharge at the oxide-electrode interface, the heterostructure maintains a highresistance ratio between high- and low-resistance states. Finally, we show thatthe low-bias conductance of device on-states becomes much less sensitive to thespatial distribution of oxygen removed from the HfO$_2$ in the presence of theTa layer. By providing fundamental understanding of the observed improvementswith scavenger layers, we open a path to engineer interfaces with oxygenscavenger layers to control and enhance device performance. In turn, this mayenable the realization of a non-volatile low-power memory technology withconcomitant reduction in energy consumption by consumer electronics andsignificant benefits to society.

physical chemistry chemical physics/pccp. physical chemistry chemical physics

The effect of Ta oxygen scavenger layer on HfO$_2$-based resistive  switching behavior: thermodynamic stability, electronic structure, and  low-bias transport