Theoretical Investigation of Origin of Quantized Conduction in 2D Layered Ruddleson–Popper Perovskite Heterostructure for the RRAM Applications

Abstract

Quantized conduction achieved in layered materials offers a wide range of applications in electronics. A comprehensive analysis of electronic properties of Sr2ZrO4/TiN- and Sr2ZrO4/TaN-layered heterostructure is carried out using plane wave-based first principles calculations. To understand the origin of quantized conduction, the role of oxygen vacancies (Vos) in 2D layered Ruddleson–Popper perovskite (Sr2ZrO4) is analyzed using density of states, isosurface, and integrated charge density plots. The origin of quantized states formed near the Fermi level is proposed in terms of charge conduction layer formed at the interface. The comprehensive insight of Sr2ZrO4/TiN and Sr2ZrO4/TaN heterostructure interface is provided by shedding light on the charge redistribution from charge density and Bader charge analysis. Meanwhile, work function is calculated for the confirmation of charge conducting behavior of the two layered heterostructures. The interface of these two layered heterostructures revealed the quantized conduction phenomena which cannot be achieved with either layer alone. Stable switching achieved withaTaN electrode being an important task for robust RS and solving sneak path related problem is opening roadmap for 2D layered RRAM devices.