Abstract
Considering von Neumann expression for reduced density matrix as thermodynamic entropy of a system strongly coupled to baths, we use nonequilibrium Green's function (NEGF) techniques to derive bath and energy resolved expressions for entropy, entropy production, and information flows. The consideration is consistent with dynamic (quantum transport) description and expressions reduce to expected forms in limiting cases of weak coupling or steady state. Formulation of the flows in terms of only system degrees freedom is convenient for simulation of thermodynamic characteristics of open nonequilibrium quantum systems. We utilize standard NEGF for derivations in noninteracting systems, Hubbard NEGF is used for interacting systems. Theoretical derivations are illustrated with numerical simulations within generic junction models.
| Original language | English |
|---|---|
| Article number | 085415 |
| Journal | Physical Review B |
| Volume | 103 |
| Issue number | 8 |
| DOIs | |
| State | Published - 9 Feb 2021 |
| Externally published | Yes |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
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