Hierarchical modeling for TCAD simulation of short-channel 2D material-based FETs

• A novel hierarchical modeling flow, that uses ab-initio atomistic, continuum effective mass Non-equilibrium Green’s Functions and TCAD simulations, is available for the design of short-channel 2D material-based FETs. • The drift-diffusion transport model used in TCAD can be infused with more rigorous approaches to maintain accuracy, while still affording the fast turnaround time and flexibility required by modern development in the semiconductor industry. • The simulations performed with the TCAD setup calibrated by means of the hierarchical modeling flow accurately predict 2D-FETs device characteristics. An integrated hierarchical modeling flow for fast analysis and prototyping of 2D material-based field-effect transistors (FETs) is presented. Advanced transport simulators using ab initio atomistic density functional theory (DFT) and continuum effective mass non-equilibrium Green’s Functions (NEGF) consistently provide TCAD tools with device material and component parameters and reference curves for physical model selection and calibration. We validate each step of the hierarchical flow, and we show that the simulations performed with the resulting TCAD setup accurately predict 2D-FETs device characteristics.