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Physics Special CAMP Seminar: Real-time dynamics of spin, orbit, charge via time-dependent density functional theory : Ab initio asscess to geometric or topological natures of solid states
Add to Calendar 2024-05-28T17:30:00 2024-05-28T18:30:00 UTC Physics Special CAMP Seminar: Real-time dynamics of spin, orbit, charge via time-dependent density functional theory : Ab initio asscess to geometric or topological natures of solid states 339 Davey Lab
Start DateTue, May 28, 2024
1:30 PM
to
End DateTue, May 28, 2024
2:30 PM
Presented By
Noejung Park, Ulsan National Institute of Science and Technology (UNIST), UNIST-gil 50, Ulsan, 44919 Korea
Event Series: SPECIAL CAMP SEMINAR

We have performed the real-time time-dependent density-functional theory calculations, mostly within the adiabatic local density approximation(ALDA), to access to various Berry-curvature characteristics of solid states. We demonstrate that the quantum anomalous Hall conductivity and the quantum spin Hall conductivity of real-material bulk topological insulators can be directly obtained through the real-time profile of the electrons velocity. We extend our methods to nonlinear optical responses associated with spin-orbit dynamics, particularly focusing on the situation when a built-in geometrical chirality is linked to an axial electric field and/or magnetic field, or even a non-zero . We show that the spin structure emerging over the charge-orbit dynamical state has a quite different characters from the models commonly cited in the interpretations of experimental results. The analogy of these real-time dynamics with the Thouless pump model in the extreme adiabatic limit, and the possible realization of axial anomaly as a lattice gauge theory are also discussed. This talk also includes the limitation and utility of ALDA of the exchange-correlation magnetic field in for the aforementioned spin-orbit dynamics.