Spin Dynamics in Open Quantum Systems: A DLvN-TDDFT Approach
Invited-In-person · Invited
Abstract
In this talk, I will present a spin-uncompensated driven Liouville-von Neumann methodology within the time-dependent density functional theory (DLvN-TDDFT) framework to model collinear electronic and spintronic transport in open quantum systems. After introducing and validating the approach, through benchmark simulations of spin-polarized transport in simple molecular junctions, I will demonstrate it for a magnetic zigzag graphene nanoribbon junction model under external electric fields. The simulation results reveal rich spin-resolved current dynamics, highlighting the DLvN-TDDFT framework as a promising tool for exploring dynamical spintronic phenomena in low-dimensional open quantum systems and circuitry.
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Publication: K. T. Chavan, O. Hod, and J. E. Peralta, "Spin Dynamics in Open Quantum Systems: A DLvN-TDDFT Approach", submitted (2025).
A. Oz, A. Nitzan, O. Hod, and J. E. Peralta, "Electron Dynamics in Open Quantum Systems: The Driven Liouville-von Neuman Methodology within Time Dependent Density Functional Theory",J. Chem. Theory Comput. 19, 7496-7504 (2023).
Presenters
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Oded Hod
- Tel Aviv University