open access

https://hdl.handle.net/2115/92966

Coupling of orbital and spin polarizations to interatomic hopping in a helical atomic chain

英語

2023-08-21

AIP Publishing

Journal of chemical physics

159(7)

074701

Electron transport through a variety of helical structures has been shown to exhibit high-efficiency spin filtering, which is called chirality-induced spin selectivity (CISS). In this paper, we consider a helical chain of atomic p orbitals, which has been employed as a model in exploring the mechanism of CISS in previous theories, and show that the interatomic hopping along the helical chain induces an effective magnetic field (EMF) acting on the atomic orbital angular momentum (OAM). In chains where the curvature and torsion of the helix are small, we find that the EMF on the binormal component of the atomic OAM is created by the curvature, while that on the tangential component is produced by the torsion. We show that such coupling of the atomic OAM and the interatomic hopping leads to current-induced orbital and spin polarizations. We expect that the present coupling, which is expressed locally, can be used to estimate orbital and spin polarizations locally induced in molecules and solids.

学術雑誌論文

Version of Record

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Yuya Yatabe, Hiroshi Akera; Coupling of orbital and spin polarizations to interatomic hopping in a helical atomic chain. J. Chem. Phys. 21 August 2023; 159 (7): 074701 and may be found at https://doi.org/10.1063/5.0156461.

0021-9606