Fully coupled electron-phonon transport in two-dimensional-material-based devices using efficient FFT-based self-energy calculations

Self-heating effects can significantly degrade the performance in nanoscale devices. We investigate self-heating effects in such devices based on two-dimensional materials using ab-initio techniques. A new algorithm was developed to allow for efficient self-energy computations, achieving a ~500 times speedup. It is found that for the simple case of free-standing MoS₂ without explicit metal leads, the self-heating effects do not result in significant performance degradation.