Document Type


Publication Date


Publication Title

ACS Nano


quantum spin-thermopower, coherent transport, quantum interference, many-body transport theory, nonequilibrium Green’s functions, single-molecule junction


We investigate the influence of quantum interference (QI) and broken spin-symmetry on the thermoelectric response of node-possessing junctions, finding a dramatic enhancement of the spin-thermopower (Ss), figure-of-merit (ZsT), and maximum thermodynamic efficiency (Ξ·smax) caused by destructive QI. Using many-body and single-particle methods, we calculate the response of 1,3-benzenedithiol and cross-conjugated molecule-based junctions subject to an applied magnetic field, finding nearly universal behavior over a range of junction parameters with Ss, ZsT, and reaching peak values of 2πœ‹/ √3(π‘˜/𝑒)2πœ‹/3(π‘˜/𝑒), 1.51, and 28% of Carnot efficiency, respectively. We also find that the quantum-enhanced spin-response is spectrally broad, and the field required to achieve peak efficiency scales with temperature. The influence of off-resonant thermal channels (e.g., phonon heat transport) on this effect is also investigated.

Funding Source

This research was graciously supported by the National Science Foundation under award number DMR-1809024. J.R.H. acknowledges support from the Air Force Office of Scientific Research (Program Manager Dr. Gernot Pomrenke) under award number FA9550-20RYCOR059. This article was published Open Access thanks to a transformative agreement between Milner Library and ACS.




First published in ACS Nano 2024,

This open access article is licensed under CC BY 4.0 (

Bergfield_2024_ACS_NANO_supporting.pdf (5110 kB)
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