Berlin 2018 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 74: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials VII (joint session O/TT/MM/DS/CPP)

CPP 74.9: Vortrag

Donnerstag, 15. März 2018, 17:15–17:30, HL 001

Transient charge and energy flow in the wide-band limit — Fabio Covito, •Florian Eich, Riku Tuovinen, Michael Sentef, and Angel Rubio — Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany

Thanks to recent advances in ultra-fast pump-probe spectroscopies and nano-thermometry it is possible to study charge and energy flow at atomic time and length scales. In order to analyze the transient dynamics of nanoscale devices theoretically, the wide-band limit is a commonly used approximation. Here we investigate the applicability of the wide-band limit to the study of charge and heat transport through nanojunctions exposed to voltage biases and temperature gradients. We find that while this approximation faithfully describes the long-time steady-state charge and heat transport, it fails to characterize the short-time transient behavior of the junction. In particular, we find that the charge current flowing through the device shows a discontinuity when a temperature gradient is applied, while the energy flow is discontinuous when a voltage bias drives the dynamics and even diverges when the junction is exposed to both a temperature gradient and a voltage bias. We discuss this pathological behavior and propose two possible solutions.