Effect of Peierls-like distortions on transport in amorphous phase change devices

Today, devices based on phase change materials (PCMs) are expanding beyond their traditional application in non-volatile memory, emerging as promising components for future neuromorphic computing systems. Despite this maturity, the electronic transport in the amorphous phase is still not fully understood, which holds in particular for the resistance drift. This phenomenon has been linked to physical aging of the glassy state. PCM glasses seem to evolve towards structures with increasing Peierls-like distortions. Here, we provide direct evidence for a link between Peierls-like distortions and local current densities in nanoscale phase change devices. This supports the idea of the evolution of these distortions as a source of resistance drift. Using a combination of density functional theory and non-equilibrium Green's function calculations, we show that electronic transport proceeds by states close to the Fermi level that extend over less distorted atomic environments. We further show that nanoconfinement of a PCM leads to a wealth of phenomena in the atomic and electronic structure as well as electronic transport, which can only be understood when interfaces to confining materials are included in the simulation. Our results therefore highlight the importance and prospects of atomistic-level interface design for the advancement of nanoscaled phase change devices.