Multi-scale simulations of two dimensional material based devices: the NanoTCAD ViDES suite

Area of Science:

• Computational physics and materials science
• Nanotechnology and nanoelectronics
• Advanced materials and device engineering

Background:

• NanoTCAD ViDES has been a foundational open-source software for nanoelectronic device simulation for nearly two decades.
• It is widely used by global research groups, contributing to hundreds of scientific publications.
• The software is freely accessible, fostering collaboration and innovation in the computational nanoelectronic community.

Purpose of the Study:

• To revise the existing code structure and modules of NanoTCAD ViDES.
• To introduce new features for advanced multi-scale modeling and ab-initio calculations.
• To expand capabilities for simulating arbitrary heterostructures and exploring novel green electronic technologies.

Main Methods:

• Code structure and module revision for enhanced functionality.
• Integration of ab-initio electron-structure calculations for multi-scale approaches.
• Development of tools for simulating arbitrary heterostructures and mesoscopic devices.
• Focus on enabling research in emerging areas like printed electronics.

Main Results:

• A comprehensive revision of the NanoTCAD ViDES code structure and core modules.
• Implementation of new features supporting multi-scale simulations incorporating quantum physics.
• Enhanced capabilities for designing and analyzing devices based on arbitrary layered heterostructures.
• Facilitation of research into low-cost, sustainable mesoscopic electronic technologies.

Conclusions:

• NanoTCAD ViDES continues to evolve as a versatile platform for nanoelectronic device simulation.
• The new features significantly advance the ability to explore novel physics and device architectures.
• The simulator is well-positioned to support research in next-generation electronic devices and green technologies.