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Quantum Interference Enhancement of the Spin-Dependent Thermoelectric Response.

Runa X BennettJoshua R HendricksonJustin P Bergfield
Published in: ACS nano (2024)
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 ( S s ), figure-of-merit ( Z s T ), and maximum thermodynamic efficiency (η s max ) 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 S s , Z s T , and reaching peak values of 2 π / 3 ( k / 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.
Keyphrases
  • single molecule
  • room temperature
  • density functional theory
  • molecular dynamics
  • energy transfer
  • transition metal
  • heat stress