Ultrafast exciton decomposition in transition metal dichalcogenide heterostructures

Phonon-Mediated Exciton Relaxation in Two-Dimensional Semiconductors: Selection Rules and Relaxation Pathways

“…Phonon-mediated scattering between different excitonic states therefore becomes ubiquitous in their energy relaxation dynamics, exciton recombination, and photoluminescence processes . Several first-principles approaches have been developed to address such exciton–phonon coupling (ExPC) problems, including many-body perturbation theory, − nonadiabatic molecular dynamics, , time-dependent density functional theory, and the density matrix approach . Despite these advancements, accurately and efficiently calculating ExPC remains a challenge. − Furthermore, whether ExPC exhibits fundamentally different physical behaviors from EPC in these 2D systems remains an open question.…”