Point-defect kinetics in semiconductors: Experimental insights, modeling approaches, and applications

Semiconductor materials play a central role in current and future electronics technologies. From microprocessors and advanced computers to optical components, device functionality is dependent on the creation and control of point defects in semiconductors. Incorporating a fundamental understanding of defect kinetics, including formation, migration, and chemistry, is essential for advancing materials science, assessing their device impact, ensuring the reliability of modern electronics, and leveraging new materials for next-generation technologies. This article explores the kinetics of point defects from experimental observations and atomistic modeling, to dynamical multiscale descriptions of defect kinetics. A survey of experiments reveals the important role of kinetics in defect behavior during synthesis, implantation doping, radiation exposure, and long-term defect evolution, while highlighting the impact of evolving material properties on device performance. Atomistic modeling, including molecular dynamics and density functional theory, is surveyed emphasizing its ability to describe dynamical behavior and predict kinetic pathways that govern defect evolution in semiconductors. Dynamical and multiscale modeling methods that integrate experimental and atomistic defect properties into continuum-scale codes are examined for their role in bridging atomic-scale defect behavior to device-level performance. By addressing critical challenges and revealing the inherent difficulties in modeling and experimental validation, this article aims to advance the understanding of defect kinetics and provide insights into the short-term and long-term reliability of materials and devices.