From the 1 of 13 linked papers with an AI index.
13 papers
First-principles predictions of carrier mobility with record accuracy using GW perturbation theory
Nick Pant, Sabyasachi Tiwari, Steven G. Louie +2
Accurate prediction of carrier mobility is critical for the discovery and design of next-generation electronic materials. Despite sustained progress, state-of-the-art ab initio met…
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…
Photogeneration and signatures of coherent phonons in time-resolved photoemission spectroscopy: First-principles time-dependent adiabatic GW approach
Yang-hao Chan, Zhenglu Li, Steven G. Louie
The paper presents a first‑principles time‑dependent GW method that includes electron‑phonon interactions to model how coherent phonons are generated and observed in pump‑probe tim…
Moiré Phonons and Emergent Exciton-Phonon Coupling in a Moiré Heterobilayer
Can B. Uzundal, Woochang Kim, Zhiyuan Cui +13
Moiré superlattices have emerged as a new platform for engineering electronic and optical properties in van der Waals heterostructures, enabling control over correlated and excito…
Quantum Theory of Exciton Magnetic Moment: Interaction and Topological Effects
Gurjyot Sethi, Jiawei Ruan, Fang Zhang +4
Combining magnetometry with optical spectroscopy has uncovered novel quantum phenomena and is emerging as a powerful probe of quantum materials. However, the theory of the magnetic…
Tunable Interlayer Charge-transfer States in MoSe/WS Moiré Superlattices
Zheyu Lu, Jiahui Nie, Tianle Wang +15
Moiré superlattices formed by transition metal dichalcogenide (TMD) heterobilayers provide a versatile platform for studying strongly correlated electronic, excitonic, and topolog…