Hydrogen-triggered metal filament rupture in Cu-based resistance switches

Abstract

Cation-based resistance switches have been considered as promising candidates for memory cells and other novel devices. So far, the most accepted switching processes of such devices are based on the formation/rupture of metallic filaments between two electrodes. Although many recent studies have identified the existence of H2O (and resulting -OH groups) in such devices, their effects on the switching process are still unclear. In the present work, by taking Cu/Ta2O5/Pt device as an example, we have theoretically revealed that H ions may dissociate from -OH groups and accumulate onto the Cu filament in amorphous Ta2O5. After that, the adsorbed H ions will induce a series of changes, such as the elongation of the adjacent Cu-Cu bonds, the weakening of the Cu-Cu bonds, the increase of charge on Cu cations, and the enhancement of diffusivities of Cu cations, all of which eventually lead to the rupture of the Cu filament. Interestingly, our proposed ‘H-triggered metal filament rupture’ model is similar to the widely studied ‘hydrogen embrittlement phenomenon’. The crucial point of this model is the high catalytic activity of Cu towards the splitting of -OH group. Consequently, it is expected that this model could be applicable to other Cu-cation based resistance switches.

Keywords

• Resistance switch
• first-principles simulation
• rupture of metal filament
• hydrogen embrittlement