Master Thesis Presentation "Multiscale Modeling of Emerging 2D Materials For Electronic Devices And Their Applications"

This master thesis explores the potential of 2D Janus materials, such as MoSSe, Ge2SSe,
and Ge2STe, as alternatives to silicon in electronic devices, particularly in the transistor
channel, for high-performance applications. As silicon-based chips nearly reached to their
physical limits in terms of speed and scalability, Janus 2D materials offer advantages like high
electron mobility, tunable bandgaps, and low power consumption, making them suitable for
flexible electronics, quantum computing, and other advanced technologies. The study uses
Density Functional Theory (DFT) and Non-equilibrium Green Functions (NEGF) approaches
to investigate key electronic properties such as effective mass, carrier mobility, and dielectric
constants, which are crucial for assessing their performance in field-effect transistors (FETs).
Simulations of double-gate FETs with Janus monolayers as the channel materials exhibited
promising performance at gate lengths between 5 nm and 5.7 nm, demonstrating strong gate
control and improved Ion/Ioff ratios. These findings suggest that Janus 2D materials have the
potential to overcome the scaling limitations of silicon, offering a viable path for the future of
nanoelectronics.