Continuum model for chiral induced spin selectivity in helical molecules

Ernesto Medina, Luis A. González-Arraga, Daniel Finkelstein-Shapiro, Bertrand Berche, Vladimiro Mujica

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

A minimal model is exactly solved for electron spin transport on a helix. Electron transport is assumed to be supported by well oriented pz type orbitals on base molecules forming a staircase of definite chirality. In a tight binding interpretation, the spin-orbit coupling (SOC) opens up an effective πz - πz coupling via interbase px,y - pz hopping, introducing spin coupled transport. The resulting continuum model spectrum shows two Kramers doublet transport channels with a gap proportional to the SOC. Each doubly degenerate channel satisfies time reversal symmetry; nevertheless, a bias chooses a transport direction and thus selects for spin orientation. The model predicts (i) which spin orientation is selected depending on chirality and bias, (ii) changes in spin preference as a function of input Fermi level and (iii) back-scattering suppression protected by the SO gap. We compute the spin current with a definite helicity and find it to be proportional to the torsion of the chiral structure and the non-adiabatic Aharonov-Anandan phase. To describe room temperature transport, we assume that the total transmission is the result of a product of coherent steps.

Original languageEnglish
Article number194308
JournalJournal of Chemical Physics
Volume142
Issue number19
DOIs
Publication statusPublished - May 21 2015

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Chirality
selectivity
continuums
Molecules
Orbits
molecules
Fermi level
Torsional stress
chirality
Scattering
Electrons
orbits
stairways
electron spin
helices
torsion
Temperature
retarding
orbitals
symmetry

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Medina, E., González-Arraga, L. A., Finkelstein-Shapiro, D., Berche, B., & Mujica, V. (2015). Continuum model for chiral induced spin selectivity in helical molecules. Journal of Chemical Physics, 142(19), [194308]. https://doi.org/10.1063/1.4921310

Continuum model for chiral induced spin selectivity in helical molecules. / Medina, Ernesto; González-Arraga, Luis A.; Finkelstein-Shapiro, Daniel; Berche, Bertrand; Mujica, Vladimiro.

In: Journal of Chemical Physics, Vol. 142, No. 19, 194308, 21.05.2015.

Research output: Contribution to journalArticle

Medina, E, González-Arraga, LA, Finkelstein-Shapiro, D, Berche, B & Mujica, V 2015, 'Continuum model for chiral induced spin selectivity in helical molecules', Journal of Chemical Physics, vol. 142, no. 19, 194308. https://doi.org/10.1063/1.4921310
Medina E, González-Arraga LA, Finkelstein-Shapiro D, Berche B, Mujica V. Continuum model for chiral induced spin selectivity in helical molecules. Journal of Chemical Physics. 2015 May 21;142(19). 194308. https://doi.org/10.1063/1.4921310
Medina, Ernesto ; González-Arraga, Luis A. ; Finkelstein-Shapiro, Daniel ; Berche, Bertrand ; Mujica, Vladimiro. / Continuum model for chiral induced spin selectivity in helical molecules. In: Journal of Chemical Physics. 2015 ; Vol. 142, No. 19.
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