A first-principles study of the switching mechanism in GeTe/InSbTe superlattices.

Interfacial Phase Change Memories (iPCMs) based on (GeTe) 2 /Sb 2 Te 3 superlattices have been proposed as an alternative candidate to conventional PCMs for the realization of memory devices with superior switching properties. The switching mechanism was proposed to involve a crystalline-to-crystalline structural transition associated with a rearrangement of the stacking sequence of the GeTe bilayers. Density functional theory (DFT) calculations showed that such rearrangement could be achieved by means of a two-step process with an activation barrier for the flipping of Ge and Te atoms which is sensitive to the biaxial strain acting on GeTe bilayers. Within this picture, strain-engineering of GeTe bilayers in the GeTe-chalcogenide superlattice can be exploited to further improve the iPCM switching performance. In this work, we study GeTe-InSbTe superlattices with different compositions by means of DFT, aiming at exploiting the large mismatch (3.8%) in the in-plane lattice parameter between GeTe and In 3 SbTe 2 to reduce the activation barrier for the switching with respect to the (GeTe) 2 -Sb 2 Te 3 superlattice.