Ferroelectric switching of electronic properties at the picoscale: theory and computation

Progress in the synthesis and theory of complex oxides now allows the design and realization of complex-oxide-ferroelectric heterostructures in which phase transitions in the complex oxide can be induced, through change in carrier concentration and direct atomic-scale coupling across the interface, when the ferroelectric is switched by an applied electric field. The picoscale atomic and electronic reconstructions with switching thus determine the two-state behavior of this class of devices, which we refer to as ~PicoFET~s. In this project, we combine the expertise in oxide MBE and relevant characterization of experimentalist Charles Ahn at Yale with the approaches to first-principles materials design and modeling of functional materials and heterostructures developed by theorist Karin Rabe at Rutgers. In this tightly-integrated experimental-theoretical collaboration, we will focus on understanding and optimizing the performance of PicoFETs and related devices by choice of materials and termination, with first-principles results and analysis of the underlying mechanisms informing and being informed by synthesis and characterization of carefully selected prototype systems.