An FDTD-TDDFT method for the EM/QM co-simulation of nanowire systems in the Lorenz gauge
Real-time time-dependent density functional theory (TDDFT) constitutes a cornerstone in the modeling of nanoscale materials. Although numerous application areas have already benefited from the technique, investigation of both forward and backward coupling in matter systems subject to a vectorial electromagnetic (EM) perturbation remains challenging. To address this problem, this work proposes a modeling framework leveraging […]
An ADHIE-TDDFT Method for the EM/QM Co-simulation of Coupled 1-D Nanowires
Over the past years, the rapid increase in device functionality and miniaturization has stimulated the demand for novel topologies and materials. One such trend is the emergence of one-dimensional nanostructures in electronic components. Given the embryonic stage of these applications, adequate modeling tools should be developed to investigate the structures’ intricate dynamics. This encompasses the […]