TY - JOUR
T1 - Continuum model for chiral induced spin selectivity in helical molecules
AU - Medina, Ernesto
AU - González-Arraga, Luis A.
AU - Finkelstein-Shapiro, Daniel
AU - Berche, Bertrand
AU - Mujica, Vladimiro
N1 - Publisher Copyright:
© 2015 AIP Publishing LLC.
PY - 2015/5/21
Y1 - 2015/5/21
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84929650619&partnerID=8YFLogxK
U2 - 10.1063/1.4921310
DO - 10.1063/1.4921310
M3 - Artículo
AN - SCOPUS:84929650619
SN - 0021-9606
VL - 142
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 19
M1 - 194308
ER -