Effective Hamiltonian model for helically constrained quantum systems within adiabatic perturbation theory: application to the Chirality-Induced Spin Selectivity (CISS) Effect
| Autor: | Gianaurelio Cuniberti, Matthias Geyer, Rafael Gutierrez |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Physics
010304 chemical physics Hamiltonian model Continuum (measurement) Spin polarization Condensed Matter - Mesoscale and Nanoscale Physics General Physics and Astronomy FOS: Physical sciences 010402 general chemistry 01 natural sciences 0104 chemical sciences Organic molecules Quantum mechanics 0103 physical sciences Mesoscale and Nanoscale Physics (cond-mat.mes-hall) Quantum system Physical and Theoretical Chemistry Selectivity Adiabatic process Quantum |
| Popis: | The chirality-induced spin selectivity 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-principles 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 simplicity of the models 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. The obtained spin polarization is not strongly dependent on the strength of the spin-orbit interaction, but it rather results from breaking time-reversal invariance upon selection of a given angular momentum of the incoming electrons. |
| Databáze: | OpenAIRE |
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