Electronic Barriers Behavioral Analysis of a Schottky Diode Structure Featuring Two-Dimensional MoS2

This research presents a comprehensive study of a Schottky diode fabricated using a gold wafer and a bilayer molybdenum disulfide (MoS2) film. Through detailed simulations, we investigated the electric field distribution, potential profile, carrier concentration, and current–voltage characteristics of the device. Our findings confirm the successful formation of a Schottky barrier at the Au/MoS2 interface, characterized by a distinct nonlinear I–V relationship. Comparative analysis revealed that the Au/MoS2 diode significantly outperforms a traditional W/Si structure in terms of rectification performance. The Au/MoS2 diode exhibited a current density of 1.84 × 10−9 A/cm2, substantially lower than the 3.62 × 10−5 A/cm2 in the W/Si diode. Furthermore, the simulated I–V curves of the Au/MoS2 diode closely resembled the ideal diode curve, with a Pearson correlation coefficient of approximately 0.9991, indicating an ideality factor near 1. A key factor contributing to the superior rectification performance of the Au/MoS2 diode is its higher Schottky barrier height of 0.9 eV compared to the 0.67 eV of W/Si. This increased barrier height is evident in the band diagram analysis, which further elucidates the underlying physics of Schottky barrier formation in the Au/MoS2 junction. This research provides insights into the electronic properties of Schottky contacts based on two-dimensional MoS2, particularly the relationship between electronic barriers, system dimensions, and current flow. The demonstration of high-ideality-factor Au/MoS2 diodes contributes to the design and optimization of future electronic and optoelectronic devices based on 2D materials. These findings have implications for advancements in semiconductor technology, potentially enabling the development of smaller, more efficient, and flexible devices.