Quantum Mechanical Modeling of Radiation-Induced Defect Dynamics in Electronic Devices

Density functional theory (DFT) has emerged as a powerful tool to model defect properties and dynamics at the quantum mechanical level. Results from targeted DFT calculations can provide valuable insight into the atomistic nature of radiation-induced defect phenomena in microelectronics. This review describes the foundations of DFT, its implementations, and defect calculations. Illustrative exampl...