open access

https://hdl.handle.net/2115/92697

Spin-velocity locking in a helical chain of atomic p (+/-) orbitals

英語

2023-07-03

AIP Publishing

Journal of chemical physics

158(21)

214705

Observations of a high spin selectivity in various helical structures, which is called the chirality-induced spin selectivity, suggest a common mechanism originating from the helical geometry. In this paper, we consider a helical chain of atomic p (+/-) orbitals having the tangential angular momentum iota = +/- 1. We show in this model that the coupling of l and the spin gives rise to spin-velocity locking, i.e., directions of spin and group velocity are parallel or antiparallel depending on the chirality of the helix, and consequently, an almost perfect spin selectivity in a specific energy region in a wide range of the curvature and the torsion of the helix. We find that the present spin-velocity locking originates from the helical symmetry in which the Hamiltonian is invariant with respect to a combined operation of the rotation around the helix axis and the translation along the helix axis. Therefore, we expect that spin-velocity locking occurs in a wide variety of helical structures.

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 Shinnosuke Kashiwa, Hiroshi Akera; Spin-velocity locking in a helical chain of atomic p± orbitals. J. Chem. Phys. 7 June 2023; 158 (21): 214705 and may be found at https://doi.org/10.1063/5.0152103.

0021-9606