52 citations · 107 across the 13 of their papers we have counts for
14 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…
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
Coherent lattice dynamics can be observed in pump-probe time-resolved and angle-resolved photoemission spectroscopy (TR-ARPES) as a periodic modulation of intensity and energy of p…
GPU acceleration of non-equilibrium Green's function calculation using OpenACC and CUDA FORTRAN
Jia Yin, Khaled Z. Ibrahim, Mauro Del Ben +3
The numerical solution of the Kadanoff-Baym nonlinear integro-differential equations, which yields the non-equilibrium Green's functions (NEGFs) of quantum many-body systems, poses…
Excitonic effects on infrared vibrational and Raman spectroscopy from first principles
Yang-Hao Chan, Zhenglu Li, Steven G. Louie
We develop a first-principles approach to compute infrared (IR) vibrational absorption and Raman scattering spectra with excitonic effects included. Our method is based on a pertur…
Exciton thermalization dynamics in monolayer MoS2: a first-principles Boltzmann equation study
Yang-hao Chan, Jonah B. Haber, Mit H. Naik +4
Understanding exciton thermalization is critical for optimizing optoelectronic and photocatalytic processes in many materials. However, it is hard to access the dynamics of such pr…
Ultrafast Band Structure Dynamics in Bulk 1-VSe
Wibke Bronsch, Manuel Tuniz, Denny Puntel +4
Complex materials encompassing different phases of matter can display new photoinduced metastable states differing from those attainable under equilibrium conditions. These states…
Exciton-phonon coupling induces new pathway for ultrafast intralayer-to-interlayer exciton transition and interlayer charge transfer in WS2-MoS2 heterostructure: a first-principles study
Yang-hao Chan, Mit H. Naik, Jonah B. Haber +4
Despite the weak, van-der-Waals interlayer coupling, photoinduced charge transfer vertically across atomically thin interfaces can occur within surprisingly fast, sub-50fs timescal…
Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW
Zhenglu Li, Gabriel Antonius, Yang-Hao Chan +1
We present a workflow of practical calculations of electron-phonon (e-ph) coupling with many-electron correlation effects included using the GW perturbation theory (GWPT). This wor…
Excitonic interactions and mechanism for ultrafast interlayer photoexcited response in van der Waals heterostructures
Chen Hu, Mit H. Naik, Yang-Hao Chan +1
Optical dynamics in van der Waals heterobilayers is of fundamental scientific and practical interest. Based on a time-dependent adiabatic GW approach, we discover a new many-electr…
Giant self-driven exciton-Floquet signatures in time-resolved photoemission spectroscopy of MoS from time-dependent GW approach
Y. -H. Chan, Diana Y. Qiu, Felipe H. da Jornada +1
Time-resolved, angle-resolved photoemission spectroscopy (TR-ARPES) is a one-particle spectroscopic technique that can probe excitons (two-particle excitations) in momentum space.…
Exciton lifetime and optical linewidth profile via exciton-phonon interactions: Theory and first-principles calculations for monolayer MoS
Y. -H. Chan, Jonah B. Haber, Mit H. Naik +4
Exciton dynamics dictate the evolution of photoexcited carriers in photovoltaic and optoelectronic devices. However, interpreting their experimental signatures is a challenging the…
Exciton-Driven Renormalization of Quasiparticle Band Structure in Monolayer MoS2
Yi Lin, Yang-hao Chan, Woojoo Lee +7
Optical excitation serves as a powerful approach to control the electronic structure of layered Van der Waals materials via many-body screening effects, induced by photoexcited fre…
Using dynamic mode decomposition to predict the dynamics of a two-time non-equilibrium Green's function
Jia Yin, Yang-hao Chan, Felipe da Jornada +3
Computing the numerical solution of the Kadanoff-Baym equations, a set of nonlinear integral differential equations satisfied by two-time Green's functions derived from many-body p…
Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition
Jia Yin, Yang-hao Chan, Felipe da Jornada +3
Simulating the dynamics of a nonequilibrium quantum many-body system by computing the two-time Green's function associated with such a system is computationally challenging. Howeve…