Numerical analysis and simulation of lateral memristive devices: Schottky, ohmic, and multi-dimensional electrode models

Abstract: In this paper, we present the numerical analysis and simulations of a multi-dimensional memristive device model. Memristive devices and memtransistors based on two-dimensional (2D) materials have demonstrated promising potential as components for next-generation AI hardware and information technology. Our charge transport model describes the drift-diffusion of electrons, holes, and ionic defects self-consistently in an electric field. We incorporate two types of boundary models: ohmic and Schottky contacts. The coupled drift-diffusion partial differential equations are discretized using a physics-preserving Voronoi finite volume method. It relies on an implicit time-stepping scheme and the excess chemical potential flux approximation. We demonstrate that the fully discrete nonlinear scheme is unconditionally stable, preserving the free-energy structure of the continuous system and ensuring the non-negativity of carrier densities. Novel discrete entropy-dissipation inequalities for both boundary condition types in multiple dimensions allow us to prove the existence of discrete solutions. We perform multi-dimensional simulations to understand the impact of electrode configurations and device geometries, focusing on the hysteresis behavior in lateral 2D memristive devices. Three electrode configurations -- side, top, and mixed contacts -- are compared numerically for different geometries and boundary conditions. These simulations reveal the conditions under which a simplified one-dimensional electrode geometry can well represent the three electrode configurations. This work lays the foundations for developing accurate, efficient simulation tools for 2D memristive devices and memtransistors, offering tools and guidelines for their design and optimization in future applications.