12 papers
Ab initio time-dependent GW approach for nonequilibrium exciton-phonon coupled dynamics across momentum space
Zhenfa Zheng, Benran Zhang, Jiawei Ruan +10
The dynamics of optical excitations in materials generally involves intertwined electron-hole (e-h) and electron-phonon (e-ph) interactions out of equilibrium. However, a full theo…
Exciton valley depolarization in monolayer MoS2: non-Markovian quantum dynamics, intervalley scattering, and the breakdown of the Dyakonov-Perel mechanism
Yang-hao Chan, Jonah B. Haber, Mit H. Naik +2
In monolayer transition metal dichalcogenides, exciton valley relaxation is typically attributed to the Dyakonov-Perel (DP) mechanism, where frequent intravalley scattering with ph…
Exchange-mediated exciton splitting and linear dichroism in monolayer transition metal dichalcogenide induced by ferroelectric substrates
Sudipta Kundu, Felipe H. da Jornada
Valley-polarized excitons in two-dimensional transition metal dichalcogenides (TMDs) offer a promising platform for quantum applications, yet the addressability and decoherence of…
Transition Metal Dichalcogenide Excitons in Periodic Electrostatic Potentials: Center-of-Mass Models
Jose M. Torres-Lopez, Sudipta Kundu, Felipe H. da Jornada +2
Two-dimensional (2D) van-der-Waals materials are a promising platform for exciton state engineering. In this paper, we study the properties of excitons in 2D group VI transition-me…
Spin dissymmetry in optical cavities
Priyanuj Bordoloi, Jefferson Dixon, Zachary N. Mauri +5
We introduce the spin dissymmetry factor, a measure of the spin-selectivity in the optical transition rate of quantum particles. This spin dissymmetry factor is valid locally, incl…
DeepH-pack: A general-purpose neural network package for deep-learning electronic structure calculations
Yang Li, Yanzhen Wang, Boheng Zhao +15
In computational physics and materials science, first-principles methods, particularly density functional theory, have become central tools for electronic structure prediction and…