Multiscale Modeling of the RESET Sweep in a Single-Layer MoS₂ Atomristor Using Density Functional Theory

Area of Science:

• Solid State Physics
• Materials Science
• Nanotechnology

Background:

• Atomristors based on single-layer molybdenum disulfide (MoS2) exhibit bipolar resistive switching.
• Understanding the physical mechanisms is crucial for optimizing device performance.

Purpose of the Study:

• To model and understand the physical mechanisms of MoS2-based atomristor bipolar resistive switching during the RESET sweep.
• To optimize atomristor energy consumption and endurance characteristics.

Main Methods:

• Density functional theory (DFT) calculations.
• Analytical modeling.
• Literature-based experimental data analysis.

Main Results:

• Identified mechanisms related to trap characteristics and their fillings.
• Incorporated charge carrier relaxation in a self-consistent operational description.

Conclusions:

• The study provides a self-consistent description of atomristor operation.
• Findings pave the way for performance optimization by reducing power dissipation and enhancing endurance.