Paper detail

Effective Hamiltonian model for helically constrained quantum systems within adiabatic perturbation theory: application to the Chirality-Induced Spin Selectivity (CISS) Effect

The chirality-induced spin selectivity (CISS) effect has been confirmed experimentally for a large class of organic molecules. Adequately modeling the effect remains a challenging task, with both phenomenological models and first-principle simulations yielding inconclusive results. Building upon a previously presented model by K. Michaeli and R. Naaman (J. Phys. Chem C 123, 17043 (2019)) we systematically investigate an effective 1-dimensional model derived as the limit of a 3-dimensional quantum system with strong confinement and including spin-orbit coupling. Having a simple analytic structure, such models can be considered a minimal setup for the description of spin-dependent effects. We use adiabatic perturbation theory to provide a mathematically sound approximation procedure applicable to a large class of spin-dependent continuum models. We take advantage of the models simplicity by analyzing its structure to gain a better understanding how the occurrence and magnitude of spin polarization effects relate to the model's parameters and geometry.