Regensburg 2025 – scientific programme
Parts | Days | Selection | Search | Updates | Downloads | Help
MM: Fachverband Metall- und Materialphysik
MM 27: Transport in Materials: Diffusion, Charge or Heat Conduction
MM 27.6: Talk
Thursday, March 20, 2025, 11:45–12:00, H22
Thermoelectric quantum transport simulations via the time-linear nonequilibrium Green's function method — •Riku Tuovinen1 and Yaroslav Pavlyukh2 — 1Department of Physics, University of Jyväskylä, Finland — 2Institute of Theoretical Physics, Wroclaw University of Science and Technology, Poland
Thermoelectric transport focuses on understanding charge and heat flow in quantum systems. While measuring electron current is relatively straightforward, nanoscale heat flux remains challenging to quantify [1]. Heat and charge exhibit fundamental differences, as highlighted by electron transport analysis within the nonequilibrium Green's function theory [2]. In the time-linear formulation, based on the generalized Kadanoff-Baym ansatz (GKBA), open system dynamics are described using an embedding correlator, enabling the calculation of time-dependent currents via the Meir-Wingreen formula [3]. However, calculating heat currents presents challenges, particularly within the wide-band limit approximation (WBLA), which can result in divergent energy integrals. Besides the mathematical issues, the WBLA's reliability depends on the physical properties of the leads. To address these limitations, we present thermoelectric quantum transport simulations using the time-linear GKBA method without relying on the WBLA [4].
[1] J. P. Pekola and B. Karimi, Rev. Mod. Phys. 93, 041001 (2021).
[2] M. Ridley et al., J. Phys. A: Math. Theor. 55, 273001 (2022).
[3] R. Tuovinen et al., Phys. Rev. Lett. 130, 246301 (2023).
[4] R. Tuovinen and Y. Pavlyukh, in preparation (2024).
Keywords: Quantum transport; Thermoelectricity; Nonequilibrium Green's function; Ultrafast phenomena