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Phys Chem Chem Phys ; 24(16): 9557-9563, 2022 Apr 20.
Article in English | MEDLINE | ID: mdl-35394001

ABSTRACT

With the discovery of the chiral-induced spin selectivity (CISS) effect, it has been recognized that spin and structural spin-orbit coupling (SOC) play important roles in the electro-optical properties of chiral materials. We redefine the spin-dependent current and magnetic moment operators to include chiral-induced SOC in a helical polymer and deduce optical absorption and circular dichroism (CD) formulae. The fine structure in the optical spectra is calculated for a helical polymer described with the tight-binding model. The effects of both the electron orbit and spin on the optical absorption and CD are discussed. Our investigations demonstrate that the synergy between the electron orbit and spin will contribute to higher-sensitivity circularly polarized light (CPL) detection.

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