Uniaxial Strain-Induced Stacking Order Change in Trilayer Graphene.

Abstract

The layer stacking order in two-dimensional heterostructures, like graphene, affects their physical properties and potential applications. Trilayer graphene, specifically ABC-trilayer graphene, has captured significant interest due to its potential for correlated electronic states. However, achieving a stable ABC arrangement is challenging due to its lower thermodynamic stability compared to the more stable ABA stacking. Despite recent advancements in obtaining ABC graphene through external perturbations, such as strain, the stacking transition mechanism remains insufficiently explored. In this study, we unveil a universal mechanism to achieve ABC stacking, applicable for understanding ABA to ABC stacking changes induced by any mechanical perturbations. Our approach is based on a novel strain engineering technique that induces interlayer slippage and results in the formation of stable ABC domains. We investigate the underlying interfacial mechanisms of this stacking change through computational simulations and experiments. Our findings demonstrate a highly anisotropic and significant transformation of ABA stacking to large and stable ABC domains facilitated by interlayer slippage. Through atomistic simulations and local energy analysis, we systematically demonstrate the mechanism for this stacking transition, that is dependent on specific loading orientation. Understanding such a mechanism allows this material system to be engineered by design compatible with industrial techniques on a device-by-device level. We conduct Raman studies to validate and characterize the formed ABC stacking, highlighting its distinct features compared to the ABA region. Our results contribute to a clearer understanding of the stacking change mechanism and provide a robust and controllable method for achieving stable ABC domains, facilitating their use in developing advanced optoelectronic devices.