Chirality-induced spin selectivity has been attracting extensive interest in recent years and is demonstrated in a variety of chiral molecules, all of which arise from inherent molecular chirality. Here, we first propose a theoretical model to study the spin-dependent electron transport along guanine-quadruplex (G4) DNA molecules, connected to two nonmagnetic electrodes, by considering the molecule–electrode contact and weak spin–orbit coupling. Our results indicate that the G4-DNA molecular junctions exhibit pronounced spin-selectivity effect, and the asymmetric contact-induced external chirality, instead of the inherent molecular chirality, dominates their spin filtration efficiency. Furthermore, the spin-selectivity effect is robust against the disorder and hold in a wide range of model parameters. These results could be checked by charge transport measurements and provide an alternative way to improve the spin-selectivity effect of chiral nanodevices.
REFERENCES
1.
R.
Naaman
and D. H.
Waldeck
, “Spintronics and chirality: Spin selectivity in electron transport through chiral molecules
,” Annu. Rev. Phys. Chem.
66
, 263
–281
(2015
).2.
K.
Michaeli
, V.
Varade
, R.
Naaman
, and D. H.
Waldeck
, “A new approach towards spintronics-spintronics with no magnets
,” J. Phys.: Condens. Matter
29
, 103002
(2017
).3.
X.
Li
, J.
Nan
, and X.
Pan
, “Chiral induced spin selectivity as a spontaneous intertwined order
,” Phys. Rev. Lett.
125
, 263002
(2020
).4.
D. H.
Waldeck
, R.
Naaman
, and Y.
Paltiel
, “The spin selectivity effect in chiral materials
,” APL Mater.
9
, 040902
(2021
).5.
R.
Naaman
, Y.
Paltiel
, and D. H.
Waldeck
, “Chiral molecules and the electron spin
,” Nat. Rev. Chem.
3
, 250
–260
(2019
).6.
K.
Ray
, S. P.
Ananthavel
, D. H.
Waldeck
, and R.
Naaman
, “Asymmetric scattering of polarized electrons by organized organic films of chiral molecules
,” Science
283
, 814
(1999
).7.
B.
Göhler
, V.
Hamelbeck
, T. Z.
Markus
, M.
Kettner
, G. F.
Hanne
, Z.
Vager
, R.
Naaman
, and H.
Zacharias
, “Spin selectivity in electron transmission through self-assembled monolayers of double-stranded DNA
,” Science
331
, 894
–897
(2011
).8.
Z.
Xie
, T. Z.
Markus
, S. R.
Cohen
, Z.
Vager
, R.
Gutierrez
, and R.
Naaman
, “Spin specific electron conduction through DNA oligomers
,” Nano Lett.
11
, 4652
–4655
(2011
).9.
J. M.
Abendroth
, N.
Nakatsuka
, M.
Ye
, D.
Kim
, E. E.
Fullerton
, A. M.
Andrews
, and P. S.
Weiss
, “Analyzing spin selectivity in DNA-mediated charge transfer via fluorescence microscopy
,” ACS Nano
11
, 7516
(2017
).10.
T. J.
Zwang
, S.
Hürlimann
, M. G.
Hill
, and J. K.
Barton
, “Helix-dependent spin filtering through the DNA duplex
,” J. Am. Chem. Soc.
138
, 15551
–15554
(2016
).11.
K. M.
Alam
and S.
Pramanik
, “Spin filtering through single-wall carbon nanotubes functionalized with single-stranded DNA
,” Adv. Funct. Mater.
25
, 3210
–3218
(2015
).12.
D.
Mishra
, T. Z.
Markus
, R.
Naaman
, M.
Kettner
, B.
Göhler
, H.
Zacharias
, N.
Friedman
, M.
Sheves
, and C.
Fontanesi
, “Spin-dependent electron transmission through bacteriorhodopsin embedded in purple membrane
,” Proc. Natl. Acad. Sci. U. S. A.
110
, 14872
–14876
(2013
).13.
H.
Einati
, D.
Mishra
, N.
Friedman
, M.
Sheves
, and R.
Naaman
, “Light-controlled spin filtering in bacteriorhodopsin
,” Nano Lett.
15
, 1052
–1056
(2015
).14.
M.
Kettner
, B.
Göhler
, H.
Zacharias
, D.
Mishra
, V.
Kiran
, R.
Naaman
, C.
Fontanesi
, D. H.
Waldeck
, S.
Sęk
, J.
Pawłowski
, and J.
Juhaniewicz
, “Spin filtering in electron transport through chiral oligopeptides
,” J. Phys. Chem. C
119
, 14542
–14547
(2015
).15.
V.
Kiran
, S. R.
Cohen
, and R.
Naaman
, “Structure dependent spin selectivity in electron transport through oligopeptides
,” J. Chem. Phys.
146
, 092302
(2017
).16.
P. C.
Mondal
, C.
Fontanesi
, D. H.
Waldeck
, and R.
Naaman
, “Field and chirality effects on electrochemical charge transfer rates: Spin dependent electrochemistry
,” ACS Nano
9
, 3377
–3384
(2015
).17.
V.
Kiran
, S. P.
Mathew
, S. R.
Cohen
, I.
Hernández Delgado
, J.
Lacour
, and R.
Naaman
, “Helicenes-A new class of organic spin filter
,” Adv. Mater.
28
, 1957
–1962
(2016
).18.
A.-M.
Guo
and Q.-F.
Sun
, “Spin-selective transport of electrons in DNA double helix
,” Phys. Rev. Lett.
108
, 218102
(2012
).19.
S.
Varela
, V.
Mujica
, and E.
Medina
, “Effective spin-orbit couplings in an analytical tight-binding model of DNA: Spin filtering and chiral spin transport
,” Phys. Rev. B
93
, 155436
(2016
).20.
G.-F.
Du
, H.-H.
Fu
, and R.-Q.
Wu
, “Vibration-enhanced spin-selective transport of electrons in the DNA double helix
,” Phys. Rev. B
102
, 035431
(2020
).21.
G. S.
Diniz
, A.
Latgé
, and S. E.
Ulloa
, “Helicoidal fields and spin polarized currents in carbon nanotube-DNA hybrids
,” Phys. Rev. Lett.
108
, 126601
(2012
).22.
A.-M.
Guo
and Q.-F.
Sun
, “Spin-dependent electron transport in protein-like single-helical molecules
,” Proc. Natl. Acad. Sci. U. S. A.
111
, 11658
–11662
(2014
).23.
S.
Yeganeh
, M. A.
Ratner
, E.
Medina
, and V.
Mujica
, “Chiral electron transport: Scattering through helical potentials
,” J. Chem. Phys.
131
, 014707
(2009
).24.
E.
Medina
, F.
López
, M. A.
Ratner
, and V.
Mujica
, “Chiral molecular films as electron polarizers and polarization modulators
,” Europhys. Lett.
99
, 17006
(2012
).25.
R.
Gutierrez
, E.
Díaz
, C.
Gaul
, T.
Brumme
, F.
Domínguez-Adame
, and G.
Cuniberti
, “Spin dynamics in helical molecules with nonlinear interactions
,” J. Phys. Chem. C
117
, 22276
–22284
(2013
).26.
J.
Gersten
, K.
Kaasbjerg
, and A.
Nitzan
, “Induced spin filtering in electron transmission through chiral molecular layers adsorbed on metals with strong spin-orbit coupling
,” J. Chem. Phys.
139
, 114111
(2013
).27.
E.
Medina
, L. A.
González-Arraga
, D.
Finkelstein-Shapiro
, B.
Berche
, and V.
Mujica
, “Continuum model for chiral induced spin selectivity in helical molecules
,” J. Chem. Phys.
142
, 194308
(2015
).28.
H.-N.
Wu
, Y.-L.
Zhu
, X.
Sun
, and W.-J.
Gong
, “Spin polarization and spin separation realized in the double-helical molecules
,” Physica E
74
, 156
–159
(2015
).29.
P.-J.
Hu
, S.-X.
Wang
, X.-H.
Gao
, Y.-Y.
Zhang
, T.-F.
Fang
, A.-M.
Guo
, and Q.-F.
Sun
, “Spin-dependent electron transport along hairpinlike DNA molecules
,” Phys. Rev. B
102
, 195406
(2020
).30.
P.-J.
Hu
, S.-X.
Wang
, X.-F.
Chen
, X.-H.
Gao
, T.-F.
Fang
, A.-M.
Guo
, and Q.-F.
Sun
, “Charge transport in a multiterminal DNA tetrahedron: Interplay among contact position, disorder, and base-pair Mismatch
,” Phys. Rev. Appl.
17
, 024074
(2022
).31.
L.
Zhang
, Y.
Hao
, W.
Qin
, S.
Xie
, and F.
Qu
, “Chiral-induced spin selectivity: A polaron transport model
,” Phys. Rev. B
102
, 214303
(2020
).32.
M.
Geyer
, R.
Gutierrez
, and G.
Cuniberti
, “Effective Hamiltonian model for helically constrained quantum systems within adiabatic perturbation theory: Application to the chirality-induced spin selectivity (CISS) effect
,” J. Chem. Phys.
152
, 214105
(2020
).33.
O. B.
Dor
, S.
Yochelis
, S. P.
Mathew
, R.
Naaman
, and Y.
Paltiel
, “A chiral-based magnetic memory device without a permanent magnet
,” Nat. Commun.
4
, 2256
(2013
).34.
P. C.
Mondal
, N.
Kantor-Uriel
, S. P.
Mathew
, F.
Tassinari
, C.
Fontanesi
, and R.
Naaman
, “Chiral conductive polymers as spin filters
,” Adv. Mater.
27
, 1924
–1927
(2015
).35.
M.
Suda
, Y.
Thathong
, V.
Promarak
, H.
Kojima
, M.
Nakamura
, T.
Shiraogawa
, M.
Ehara
, and H. M.
Yamamoto
, “Light-driven molecular switch for reconfigurable spin filters
,” Nat. Commun.
10
, 2455
(2019
).36.
P. J.
Hore
, “Are biochemical reactions affected by weak magnetic fields?
,” Proc. Natl. Acad. Sci. U. S. A.
109
, 1357
–1358
(2012
).37.
K.
Maeda
, A. J.
Robinson
, K. B.
Henbest
, H. J.
Hogben
, T.
Biskup
, M.
Ahmad
, E.
Schleicher
, S.
Weber
, C. R.
Timmel
, and P. J.
Hore
, “Magnetically sensitive light-induced reactions in cryptochrome are consistent with its proposed role as a magnetoreceptor
,” Proc. Natl. Acad. Sci. U. S. A.
109
, 4774
–4779
(2012
).38.
I.
Carmeli
, K. S.
Kumar
, O.
Heifler
, C.
Carmeli
, and R.
Naaman
, “Spin selectivity in electron transfer in photosystem I
,” Angew. Chem., Int. Ed.
53
, 8953
–8958
(2014
).39.
L.
Turin
, E. M. C.
Skoulakis
, and A. P.
Horsfield
, “Electron spin changes during general anesthesia in Drosophila
,” Proc. Natl. Acad. Sci. U. S. A.
111
, E3524
–E3533
(2014
).40.
N. E.
Katrina
, J. B.
Thomas
, J.
Ding
, and M. B.
Robert
, “G4-interacting DNA helicases and polymerases: Potential therapeutic targets
,” Curr. Med. Chem.
26
, 2881
–2897
(2019
).41.
K.
Kee
, L.
Niu
, and E.
Henderson
, “A Tetrahymena thermophila G4-DNA binding protein with dihydrolipoamide dehydrogenase activity
,” Biochemistry
37
, 4224
(1998
).42.
A.
Calzolari
, R.
Di Felice
, E.
Molinari
, and A.
Garbesi
, “G-quartet biomolecular nanowires
,” Appl. Phys. Lett.
80
, 3331
(2002
).43.
A. B.
Kotlyar
, N.
Borovok
, T.
Molotsky
, H.
Cohen
, E.
Shapir
, and D.
Porath
, “Long, monomolecular guanine-based nanowires
,” Adv. Mater.
17
, 1901
(2005
).44.
H.
Cohen
, T.
Sapir
, N.
Borovok
, T.
Molotsky
, R.
Di Felice
, A. B.
Kotlyar
, and D.
Porath
, “Polarizability of G4-DNA observed by electrostatic force microscopy measurements
,” Nano Lett.
7
, 981
(2007
).45.
G. I.
Livshits
, A.
Stern
, D.
Rotem
, N.
Borovok
, G.
Eidelshtein
, A.
Migliore
, E.
Penzo
, S. J.
Wind
, R.
Di Felice
, S. S.
Skourtis
, J. C.
Cuevas
, L.
Gurevich
, A. B.
Kotlyar
, and D.
Porath
, “Long-range charge transport in single G-quadruplex DNA molecules
,” Nat. Nanotechnol.
9
, 1040
–1046
(2014
).46.
A. K.
Thazhathveetil
, M. A.
Harris
, R. M.
Young
, M. R.
Wasielewski
, and F. D.
Lewis
, “Efficient charge transport via DNA G-quadruplexes
,” J. Am. Chem. Soc.
139
, 1730
–1733
(2017
).47.
R.
Sha
, L.
Xiang
, C.
Liu
, A.
Balaeff
, Y.
Zhang
, P.
Zhang
, Y.
Li
, D. N.
Beratan
, N.
Tao
, and N. C.
Seeman
, “Charge splitters and charge transport junctions based on guanine quadruplexes
,” Nat. Nanotechnol.
13
, 316
–321
(2018
).48.
A.-M.
Guo
and S.-J.
Xiong
, “Effects of contact and efficient charge transport in G4-DNA molecules
,” Phys. Rev. B
80
, 035115
(2009
).49.
A.-M.
Guo
, Z.
Yang
, H.-J.
Zhu
, and S.-J.
Xiong
, “Influence of backbone on the charge transport properties of G4-DNA molecules: A model-based calculation
,” J. Phys.: Condens. Matter
22
, 065102
(2010
).50.
D.
Kang
, H.
Jiang
, Z.
Sun
, Z.
Qu
, and S.
Xie
, “Magnetic field tuned charge transport in a G4-DNA molecular device
,” J. Phys.: Condens. Matter
23
, 055302
(2011
).51.
Q.-F.
Sun
, X. C.
Xie
, and J.
Wang
, “Persistent spin current in nanodevices and definition of the spin current
,” Phys. Rev. B
77
, 035327
(2008
).52.
J.-T.
Lü
, R. B.
Christensen
, G.
Foti
, T.
Frederiksen
, T.
Gunst
, and M.
Brandbyge
, “Efficient calculation of inelastic vibration signals in electron transport: Beyond the wide-band approximation
,” Phys. Rev. B
89
, 081405
(2014
).53.
S.
Datta
, Electronic Transport in Mesoscopic Systems
(Cambridge University Press
, Cambridge
, 1995
).54.
K.
Senthilkumar
, F. C.
Grozema
, C. F.
Guerra
, F. M.
Bickelhaupt
, F. D.
Lewis
, Y. A.
Berlin
, M. A.
Ratner
, and L. D. A.
Siebbeles
, “Absolute rates of hole transfer in DNA
,” J. Am. Chem. Soc.
127
, 14894
–14903
(2005
).55.
W. J.
Chung
, B.
Heddi
, E.
Schmitt
, K. W.
Lim
, Y.
Mechulam
, and A. T.
Phan
, “Structure of a left-handed DNA G-quadruplex
,” Proc. Natl. Acad. Sci. U. S. A.
112
, 2729
–2733
(2015
).56.
B.
Bakalar
, B.
Heddi
, E.
Schmitt
, Y.
Mechulam
, and A. T.
Phan
, “A minimal sequence for left-handed G-quadruplex formation
,” Angew. Chem., Int. Ed.
58
, 2331
–2335
(2019
).57.
A.-M.
Guo
, T.-R.
Pan
, T.-F.
Fang
, X. C.
Xie
, and Q.-F.
Sun
, “Spin selectivity effect in achiral molecular systems
,” Phys. Rev. B
94
, 165409
(2016
).© 2023 Author(s). Published under an exclusive license by AIP Publishing.
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