Polaron spin echo envelope modulations in an organic semiconducting polymer

Mkhitaryan, V. V.; Dobrovitski, V. V.

doi:10.1103/PhysRevB.95.214202

Polaron spin echo envelope modulations in an organic semiconducting polymer

Journal Article · Thu Jun 01 00:00:00 EDT 2017 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.95.214202· OSTI ID:1368056

Mkhitaryan, V. V. ^[1]; Dobrovitski, V. V. ^[1]

Ames Lab. and Iowa State Univ., Ames, IA (United States)

Here, we present a theoretical analysis of the electron spin echo envelope modulation (ESEEM) spectra of polarons in semiconducting π -conjugated polymers. We show that the contact hyperfine coupling and the dipolar interaction between the polaron and the proton spins give rise to different features in the ESEEM spectra. Our theory enables direct selective probe of different groups of nuclear spins, which affect the polaron spin dynamics. Namely, we demonstrate how the signal from the distant protons (coupled to the polaron spin via dipolar interactions) can be distinguished from the signal coming from the protons residing on the polaron site (coupled to the polaron spin via contact hyperfine interaction). We propose a method for directly probing the contact hyperfine interaction, that would enable detailed study of the polaron orbital state and its immediate environment. Lastly, we also analyze the decay of the spin echo modulation, and its connection to the polaron transport.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1368056

Alternate ID(s):: OSTI ID: 1361441

Report Number(s):: IS-J--9351

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 21 Vol. 95; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (46)

Optically detected magnetic resonance studies of luminescence-quenching processes in π-conjugated materials and organic light-emitting devices Shinar, J. Laser & Photonics Reviews, Vol. 6, Issue 6 https://doi.org/10.1002/lpor.201100026	journal	April 2012
Analytical Theory of Electron-Spin-Echo Modulations in Correlated Radical Pairs Zwanenburg, G.; Hore, P. J. Journal of Magnetic Resonance, Series A, Vol. 114, Issue 2 https://doi.org/10.1006/jmra.1995.1120	journal	June 1995
ESR and ENDOR studies of solitons and polarons in conjugated polymers Kuroda, S. Applied Magnetic Resonance, Vol. 23, Issue 3-4 https://doi.org/10.1007/BF03166634	journal	September 2003
Van der Waals volume fragmental constants Motoc, Ioan; Marshall, Garland R. Chemical Physics Letters, Vol. 116, Issue 5 https://doi.org/10.1016/0009-2614(85)80195-0	journal	May 1985
Polarons and their ENDOR spectra in poly(p-phenylene vinylene) Shimoi, Yukihiro; Abe, Shuji; Kuroda, Shin-ichi Solid State Communications, Vol. 95, Issue 3 https://doi.org/10.1016/0038-1098(95)00238-3	journal	July 1995
Spin distributions and excitation spectra of optically generated polarons in poly(p-phenylenevinylene) derivatives Kuroda, S.; Marumoto, K.; Ito, H. Chemical Physics Letters, Vol. 325, Issue 1-3 https://doi.org/10.1016/S0009-2614(00)00684-9	journal	July 2000
Molecular packing of oligomer chains of poly(p-phenylene vinylene) Claes, L.; François, J. -P; Deleuze, M. S. Chemical Physics Letters, Vol. 339, Issue 3-4 https://doi.org/10.1016/S0009-2614(01)00300-1	journal	May 2001
Charge transport in poly(p-phenylene vinylene) light-emitting diodes Blom, P. W. M.; Vissenberg, M. C. J. M. Materials Science and Engineering: R: Reports, Vol. 27, Issue 3-4 https://doi.org/10.1016/S0927-796X(00)00009-7	journal	May 2000
Charge Transport in Organic Semiconductors Coropceanu, Veaceslav; Cornil, Jérôme; da Silva Filho, Demetrio A. Chemical Reviews, Vol. 107, Issue 4 https://doi.org/10.1021/cr050140x	journal	April 2007
Introduction: Organic Electronics and Optoelectronics Forrest, Stephen R.; Thompson, Mark E. Chemical Reviews, Vol. 107, Issue 4 https://doi.org/10.1021/cr0501590	journal	April 2007
Electron Spin Resonance Spectra of Oriented Radicals Morton, J. R. Chemical Reviews, Vol. 64, Issue 4 https://doi.org/10.1021/cr60230a005	journal	August 1964
van der Waals Volumes and Radii Bondi, A. The Journal of Physical Chemistry, Vol. 68, Issue 3, p. 441-451 https://doi.org/10.1021/j100785a001	journal	March 1964
Relation between Structure and Electronic Properties of Amorphous MEH-PPV Polymers Qin, Ting; Troisi, Alessandro Journal of the American Chemical Society, Vol. 135, Issue 30 https://doi.org/10.1021/ja404385y	journal	July 2013
Effect of Packing on Formation of Deep Carrier Traps in Amorphous Conjugated Polymers Kilina, Svetlana; Dandu, Naveen; Batista, Enrique R. The Journal of Physical Chemistry Letters, Vol. 4, Issue 9 https://doi.org/10.1021/jz4003197	journal	April 2013
The path to ubiquitous and low-cost organic electronic appliances on plastic Forrest, Stephen R. Nature, Vol. 428, Issue 6986, p. 911-918 https://doi.org/10.1038/nature02498	journal	April 2004
Probing long-range carrier-pair spin–spin interactions in a conjugated polymer by detuning of electrically detected spin beating van Schooten, Kipp J.; Baird, Douglas L.; Limes, Mark E. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7688	journal	April 2015
Spin Rabi flopping in the photocurrent of a polymer light-emitting diode McCamey, D. R.; Seipel, H. A.; Paik, S. -Y. Nature Materials, Vol. 7, Issue 9 https://doi.org/10.1038/nmat2252	journal	August 2008
Erratum: Spin routes in organic semiconductors Dediu, V. Alek; Hueso, Luis E.; Bergenti, Ilaria Nature Materials, Vol. 8, Issue 10 https://doi.org/10.1038/nmat2544	journal	September 2009
Isotope effect in spin response of π-conjugated polymer films and devices Nguyen, Tho D.; Hukic-Markosian, Golda; Wang, Fujian Nature Materials, Vol. 9, Issue 4 https://doi.org/10.1038/nmat2633	journal	February 2010
Correlation of computed van der Waals and molecular volumes with apparent molar volumes (AMV) for amino acid, carbohydrate and sulfamate tastant molecules. Relationship between Corey–Pauling–Koltun volumes (V _CPK ) and computed volumes Spillane, William J.; Birch, Gordon G.; Drew, Michael G. B. J. Chem. Soc., Perkin Trans. 2, Issue 4 https://doi.org/10.1039/P29920000497	journal	January 1992
Explanation of the large spin-dependent recombination effect in semiconductors Kaplan, D.; Solomon, I.; Mott, N. F. Journal de Physique Lettres, Vol. 39, Issue 4 https://doi.org/10.1051/jphyslet:0197800390405100	journal	January 1978
Electrically detected magnetic resonance in ion-implanted Si:P nanostructures McCamey, D. R.; Huebl, H.; Brandt, M. S. Applied Physics Letters, Vol. 89, Issue 18 https://doi.org/10.1063/1.2358928	journal	October 2006
Semiclassical description of electron spin motion in radicals including the effect of electron hopping Schulten, Klaus; Wolynes, Peter G. The Journal of Chemical Physics, Vol. 68, Issue 7 https://doi.org/10.1063/1.436135	journal	April 1978
Optically detected magnetic resonance (O.D.M.R.) investigations of recombination processes in semiconductors Cavenett, B. C. Advances in Physics, Vol. 30, Issue 4 https://doi.org/10.1080/00018738100101397	journal	August 1981
Characterization of radiative recombination in amorphous silicon by optically detected magnetic resonance: Part I Depinna, S.; Cavenett, B. C.; Austin, I. G. Philosophical Magazine B, Vol. 46, Issue 5 https://doi.org/10.1080/01418638208224023	journal	November 1982
A numerical method to calculate the muon relaxation function in the presence of diffusion Allodi, G.; Renzi, R. De Physica Scripta, Vol. 89, Issue 11 https://doi.org/10.1088/0031-8949/89/11/115201	journal	October 2014
Zero-and low-field spin relaxation studied by positive muons Hayano, R. S.; Uemura, Y. J.; Imazato, J. Physical Review B, Vol. 20, Issue 3 https://doi.org/10.1103/PhysRevB.20.850	journal	August 1979
Recombination in a -Si: H: Spin-dependent effects Street, R. A. Physical Review B, Vol. 26, Issue 7 https://doi.org/10.1103/PhysRevB.26.3588	journal	October 1982
Depolarization of rotating spins by random walks on lattices Czech, R.; Kehr, K. W. Physical Review B, Vol. 34, Issue 1 https://doi.org/10.1103/PhysRevB.34.261	journal	July 1986
Long-time magnetization relaxation of spins diffusing in a random field Mitra, Partha P.; Le Doussal, Pierre Physical Review B, Vol. 44, Issue 21 https://doi.org/10.1103/PhysRevB.44.12035	journal	December 1991
Theory and simulation of multiple-trapping transport through a finite slab Jakobs, Andreas; Kehr, Klaus W. Physical Review B, Vol. 48, Issue 12 https://doi.org/10.1103/PhysRevB.48.8780	journal	September 1993
Comparison between multiple trapping and multiple hopping transport in a random medium Hartenstein, B.; Bässler, H.; Jakobs, A. Physical Review B, Vol. 54, Issue 12 https://doi.org/10.1103/PhysRevB.54.8574	journal	September 1996
Spin-dependent dynamics of polaron pairs in organic semiconductors McCamey, D. R.; Lee, S. -Y.; Paik, S. -Y. Physical Review B, Vol. 82, Issue 12 https://doi.org/10.1103/PhysRevB.82.125206	journal	September 2010
Spin relaxation in materials lacking coherent charge transport Harmon, N. J.; Flatté, M. E. Physical Review B, Vol. 90, Issue 11 https://doi.org/10.1103/PhysRevB.90.115203	journal	September 2014
Spin relaxation of a diffusively moving carrier in a random hyperfine field Roundy, R. C.; Raikh, M. E. Physical Review B, Vol. 90, Issue 20 https://doi.org/10.1103/PhysRevB.90.201203	journal	November 2014
Hyperfine-induced spin relaxation of a diffusively moving carrier in low dimensions: Implications for spin transport in organic semiconductors Mkhitaryan, V. V.; Dobrovitski, V. V. Physical Review B, Vol. 92, Issue 5 https://doi.org/10.1103/PhysRevB.92.054204	journal	August 2015
Spectral narrowing and spin echo for localized carriers with heavy-tailed Lévy distribution of hopping times Yue, Z.; Mkhitaryan, V. V.; Raikh, M. E. Physical Review B, Vol. 93, Issue 19 https://doi.org/10.1103/PhysRevB.93.195319	journal	May 2016
Hyperfine-Field-Mediated Spin Beating in Electrostatically Bound Charge Carrier Pairs McCamey, D. R.; van Schooten, K. J.; Baker, W. J. Physical Review Letters, Vol. 104, Issue 1, Article No. 017601 https://doi.org/10.1103/PhysRevLett.104.017601	journal	January 2010
Bipolaron Formation in Organic Solar Cells Observed by Pulsed Electrically Detected Magnetic Resonance Behrends, J.; Schnegg, A.; Lips, K. Physical Review Letters, Vol. 105, Issue 17 https://doi.org/10.1103/PhysRevLett.105.176601	journal	October 2010
Slow Hopping and Spin Dephasing of Coulombically Bound Polaron Pairs in an Organic Semiconductor at Room Temperature Baker, W. J.; Keevers, T. L.; Lupton, J. M. Physical Review Letters, Vol. 108, Issue 26 https://doi.org/10.1103/PhysRevLett.108.267601	journal	June 2012
Distinguishing Spin Relaxation Mechanisms in Organic Semiconductors Harmon, N. J.; Flatté, M. E. Physical Review Letters, Vol. 110, Issue 17 https://doi.org/10.1103/PhysRevLett.110.176602	journal	April 2013
Spin Depolarization for One-Dimensional Random Walk Czech, R.; Kehr, K. W. Physical Review Letters, Vol. 53, Issue 19 https://doi.org/10.1103/PhysRevLett.53.1783	journal	November 1984
Electron nuclear double resonance observation of π-electron defect states in undoped poly(paraphenylene vinylene) Kuroda, S.; Noguchi, T.; Ohnishi, T. Physical Review Letters, Vol. 72, Issue 2 https://doi.org/10.1103/PhysRevLett.72.286	journal	January 1994
Room-temperature coupling between electrical current and nuclear spins in OLEDs Malissa, H.; Kavand, M.; Waters, D. P. Science, Vol. 345, Issue 6203 https://doi.org/10.1126/science.1255624	journal	September 2014
Electron-Nuclear Double Resonance Studies of π-Electron Defect States in Undoped Poly (Paraphenylene Vinylene) Kuroda, Shin-ichi; Murata, Kazuhiro; Noguchi, Takanobu Journal of the Physical Society of Japan, Vol. 64, Issue 4 https://doi.org/10.1143/JPSJ.64.1363	journal	April 1995
Optically Detected Magnetic Resonance Studies of Colloidal Semiconductor Nanocrystals Lifshitz, E.; Fradkin, L.; Glozman, A. Annual Review of Physical Chemistry, Vol. 55, Issue 1 https://doi.org/10.1146/annurev.physchem.55.091602.094359	journal	June 2004

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