9 papers
Strain engineering of ultrafast magnetism in the room-temperature vdW ferromagnet Fe3GaTe2
Fan Fei, Yangchen He, Wuzhang Fang +6
Controlling ultrafast magnetic dynamics is critical to understanding nonequilibrium spin interactions and advancing high-speed spintronics. However, a lack of efficient in situ tun…
Open-quantum-system theory of non-Markovian electron-phonon dynamics
Gabriele Riva, Jacopo Simoni, Yuan Ping
We present a non-Markovian open quantum dynamics formalism for the study of nonequilibrium electron-phonon interactions, based on a closed set of four coupled equations of motion f…
Chirality-Induced Spin Selectivity: Nonlinear Spin Response from Electron-Phonon Scattering
Mayank Gupta, Andrew Grieder, Mayada Fadel +4
Chirality-induced spin selectivity (CISS) generates spin-polarized currents in nonmagnetic materials from structural chirality alone, yet its microscopic origin remains debated. Us…
Photogalvanic currents from first-principles real-time density-matrix dynamics
Junting Yu, Andrew Grieder, Jacopo Simoni +3
The photogalvanic effect is the generation of a second-order direct current by illumination of a non-centrosymmetric material. In this work, we develop a first-principles real-time…
SHarmonic: A fast and accurate implementation of spherical harmonics for electronic-structure calculations
Xavier Andrade, Jacopo Simoni, Yuan Ping +2
The authors present SHarmonic, a new implementation of the spherical harmonics targeted for electronic-structure calculations. Their approach is to use explicit formulas for the ha…
Spin non-Collinear Real-Time Time-Dependent Density-Functional Theory and Implementation in the Modern GPU-Accelerated INQ code
Jacopo Simoni, Xavier Andrade, Wuzhang Fang +4
Time-dependent density functional theory (TDDFT) is a theory that describes the time evolution of quantum mechanical many-electron systems under the influence of external time-depe…