Role of Exchange Interactions in the Magnetic Response and Intermolecular Recognition of Chiral Molecules

Abstract

The physical origin of the so-called chirality-induced spin selectivity (CISS) effect has puzzled experimental and theoretical researchers over the past few years. Early experiments were interpreted in terms of unconventional spin-orbit interactions mediated by the helical geometry. However, more recent experimental studies have clearly revealed that electronic exchange interactions also play a key role in the magnetic response of chiral molecules in singlet states. In this investigation, we use spin-polarized closed shell density functional theory calculations to address the influence of exchange contributions to the interaction between helical molecules as well as of helical molecules with magnetized substrates. We show that exchange effects result in differences in the interaction properties with magnetized surfaces, shedding light into the possible origin of two recent important experimental results: enantiomer separation and magnetic exchange force microscopy with AFM tips functionalized with helical peptides.

References in corpus (7)

• Chirality Induced Spin Selectivity -- The Role of Electron Correlations
• Continuum model for chiral induced spin selectivity in helical molecules
• Contact effects in spin transport along double-helical molecules
• Spin selectivity through time-reversal symmetric helical junctions
• Spin Filtering with Poly-T Wrapped Single Wall Carbon Nanotubes
• Spin filtering in all-electrical three-terminal interferometers
• Spin-polarized electron transmission in DNA-like systems

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• Spin-Dependent Momentum Conservation of Electron-Phonon Scattering in Chirality-Induced Spin Selectivity
• The Chiral Induced Spin Selectivity Effect -- What It Is, What It Is Not, And Why It Matters
• Interface-Induced Conservation of Momentum Leads to Chiral-Induced Spin Selectivity
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• Unconventional Meissner screening induced by chiral molecules in a conventional superconductor
• Dynamical theory of chiral-induced spin selectivity in electron donor-chiral molecule-acceptor systems
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• Mind the Gap: From Resolving Theoretical Foundations of Chiral(ity)-Induced Spin Selectivity to Pioneering Implementations in Quantum Sensing
• Nonlinear Spectroscopy via Generalized Quantum Phase Estimation
• Unconventional Spin Valve Based on Normal Metal/Chiral Molecule/Altermagnet Junctions