Spin Fano Resonances in Chiral Molecules: An Alternative Mechanism for the CISS Effect and Experimental Implications

Research output: Contribution to journalArticlepeer-review

Abstract

Experiments on spin transport through a chiral molecule demonstrated the attainment of significant spin polarization, demanding a theoretical explanation. We report the emergence of spin Fano resonances as a mechanism in the chiral-induced spin-selectivity (CISS) effect associated with transport through a chiral polyacetylene molecule. Initializing electrons through optical excitation, we derive the Fano resonance formula for the spin polarization. Computations reveal that quasidegeneracy is common in this complex molecular system. A remarkable phenomenon is the generation of pronounced spin Fano resonances due to the contributions of two near-degeneracy states. We also find that the Fano resonance width increases linearly with the coupling strength between the molecule and the lead. Our findings provide another mechanism to explain the experimental observations and lead to new insights into the role of the CISS effect in complex molecules from the perspective of transport and spin polarization resonance, paving the way for chiral molecule-based spintronics applications.

Original languageEnglish (US)
Pages (from-to)10423-10430
Number of pages8
JournalNano Letters
Volume21
Issue number24
DOIs
StatePublished - Dec 22 2021
Externally publishedYes

Keywords

  • Chiral-induced spin selectivity
  • Green’s function method
  • near-degeneracy states
  • spin Fano resonance
  • spin polarization
  • spin transport in molecules

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

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