Skip to main content
Transient Quantum Transport Simulation of Nanoscale Devices in the THz Regime
Prevailing simulation tools lack accurate descriptions of interface and surface physics that rule the performance of modern, ultra-scaled devices. Non-quasistatic transport and high-frequency behavior are not accurately simulated either. The lack of these capabilities prevents thorough and automatized cross-layer design of next-generation devices such as GAA transistors, nanosheet transistors, and nitride-based power electronics. In this work, we model material and interface properties in atomistic resolution with Density-Functional Theory (DFT) and time-dependent DFT (TD-DFT) accuracy, which also includes non-equilibrium Green’s function (NEGF) predictions of coherent quantum transport and incoherent scattering on phonons, impurities, and device/interface imperfections. The nanodevice transport equation is further coupled with transient Maxwell’s equations and efficiently co-simulated in time domain, which accurately predicts fast transient characteristics and high-frequency behavior of the device in the THz regime.