The effects of different electron-phonon couplings on the spectral and transport properties of small molecule single-crystal organic semiconductors

Electronics (Switzerland)

Volumn 3, Issue 1, 2014, Pages 165-189

  Perroni, Carmine Antonio ^a   Gargiulo, Fernando ^b   Nocera, Alberto ^c   Ramaglia, Vincenzo Marigliano ^a   Cataudella, Vittorio ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b EPFL   (Switzerland)

^c NORTHEASTERN UNIVERSITY   (United States)

Author keywords

Electron phonon couplings; Organic semiconductors; Spectral properties; Transport properties

Indexed keywords

EID: 84915791340     PISSN: None     EISSN: 20799292     Source Type: Journal    
DOI: 10.3390/electronics3010165     Document Type: Review

References (63)

1. Hasegawa, T.; Takeya, J. Organic field-effect transistors using single crystals. Sci. Technol. Adv. Mater. 2009, 10, 024314–024329.
2. Gershenson, M.E.; Podzorov, V.; Morpurgo, A.F. Colloquium: Electronic transport in single-crystal organic transistors. Rev. Mod. Phys. 2006, 78, 973–989.
3. Cheng, Y.C.; Silbey, R.J.; Filho, D.A.; Calbert, J.P.; Cornil, J.; Bredas, J.L. Three-dimensional band structure and bandlike mobility in oligoacene single crystals: A theoretical investigation. J. Chem. Phys. 2003, 118, 3764–3774.
4. Coropceanu, V.; Cornil, J.; Filho, D.A.d.; Olivier, Y.; Silbey, R.; Bredas, J.-L. Charge Transport in Organic Semiconductors. Chem. Rev. 2007, 107, 926–952.
5. Cheng, Y.C.; Silbey, R.J. A unified theory for charge-carrier transport in organic crystals. J. Chem. Phys. 2008, 128, 114713.
6. Ortmann, F.; Bechstedt, F.; Hannewald, K. Charge transport in organic crystals: interplay of band transport, hopping and electron-phonon scattering. New J. Phys. 2010, 12, 023011.
7. Alexandrov, A.S.; Devreese, J.T. Advances in Polaron Physics; Springer Verlag: Berlin/Heidelberg, Germany, 2010.
8. Warta, W.; Karl, N. Hot holes in naphthalene: High, electric-field-dependent mobilities. Phys. Rev. B 1985, 32, 1172–1182.
9. Karl, N. XIth Molecular Crystal Symposium; Lugano, Switzerland, 1985; p. 135.
10. Karl, N. Charge carrier transport in organic semiconductors. Synth. Met. 2003, 133–134, 649–657.
11. Stassen, A.F.; de Boer, R.W.I.; Iosad, N.N.; Morpurgo, A.F. Influence of the gate dielectric on the mobility of rubrene single-crystal field-effect transistors. App. Phys. Lett. 2004, 85, 3899–3901.
12. Hulea, I.N.; Fratini, S.; Xie, H.; Mulder, C.L.; Iossad, N.N.; Rastelli, G.; Ciuchi, S.; Morpurgo, A.F. Tunable Frohlich polarons in organic single-crystal transistors. Nat. Mater. 2006, 5, 982–986.
13. Ono, S.; Miwa, K.; Seki, S.; Takeya, J. A comparative study of organic single-crystal transistors gated with various ionic-liquid electrolytes. App. Phys. Lett. 2009, 94, 063301.
14. Fratini, S.; Xie, H.; Hulea, I.N.; Ciuchi, S.; Morpurgo, A.F. Current saturation and Coulomb interactions in organic single-crystal transistors. New J. Phys. 2008, 10, 033031.
15. Ding, H.; Reese, C.; Makinen, A.J.; Bao, Z.; Gao, Y. Band structure measurement of organic single crystal with angle-resolved photoemission Appl. Phys. Lett. 2010, 96, 222106.
16. Machida, S.I.; Nakayama, Y.; Duhm, S.; Xin, Q.; Funakoshi, A.; Ogawa, N.; Kera, S.; Ueno, N.; Ishii, H. Highest-Occupied-Molecular-Orbital Band Dispersion of Rubrene Single Crystals as Observed by Angle-Resolved Ultraviolet Photoelectron Spectroscopy. Phys. Rev. Lett. 2010, 104, 156401.
17. Hatch, R.C.; Huber, D.L.; Höchst, H. Electron-Phonon Coupling in Crystalline Pentacene Films. Phys. Rev. Lett. 2010, 104, 047601.
18. Marumoto, K.; Kuroda, S.; Takenobu, T.; Iwasa, Y. Spatial Extent of Wave Functions of Gate-Induced Hole Carriers in Pentacene Field-Effect Devices as Investigated by Electron Spin Resonance. Phys. Rev. Lett. 2006, 97, 256603.
19. Marumoto, K.; Arai, N.; Goto, H.; Kijima, M.; Murakami, K.; Tominari, Y.; Takeya, J.; Shimoi, Y.; Tanaka, H.; Kuroda, S. et al. Microscopic mechanisms behind the high mobility in rubrene single-crystal transistors as revealed by field-induced electron spin resonance. Phys. Rev. B 2011, 83, 075302.
20. Laarhoven, H.A.V.; Flipse, C.F.J.; Koeberg, M.; Bonn, M.; Hendry, E.; Orlandi, G.; Jurchescu, O.D.; Palstra, T.T.M.; Troisi, A. On the mechanism of charge transport in pentacene. J. Chem. Phys. 2008, 129, 044704.
21. Sakanoue, T.; Sirringhaus, H. Band-like temperature dependence of mobility in a solution-processed organic semiconductor. Nat. Mater. 2010, 9, 736–740.
22. Troisi, A.; Orlandi, G. Charge-Transport Regime of Crystalline Organic Semiconductors: Diffusion Limited by Thermal Off-Diagonal Electronic Disorder. Phys. Rev. Lett. 2006, 96, 086601.
23. Sanchez Carrera, R.S.; Paramonov, P.; Day, G.M.; Coropceanu, V.; Bredas, J.-L. Interaction of Charge Carriers with Lattice Vibrations in Oligoacene Crystals from Naphthalene to Pentacene. J. Am. Chem. Soc. 2010, 132, 14437–14446.
24. Su, W.P.; Schrieffer, J.R.; Heeger, A.J. Solitons in Polyacetylene. Phys. Rev. Lett. 1979, 42, 1698–1701.
25. Troisi, A. Prediction of the Absolute Charge Mobility of Molecular Semiconductors: The Case of Rubrene. Adv. Mat. 2007, 19, 2000–2004.
26. Troisi, A. Dynamic disorder in molecular semiconductors: Charge transport in two dimensions. J. Chem. Phys. 2011, 134, 034702.
27. Li, Y.; Coropceanu, V.; Bredas, J.-L. Nonlocal electron-phonon coupling in organic semiconductor crystals: The role of acoustic lattice vibrations. J. Chem. Phys. 2013, 138, 204713.
28. Fratini, S.; Ciuchi, S. Bandlike Motion and Mobility Saturation in Organic Molecular Semiconductors. Phys. Rev. Lett. 2009, 103, 266601.
29. Anderson, P.W. Absence of Diffusion in Certain Random Lattices. Phys. Rev. 1958, 109, 1492–1505.
30. Cataudella, V.; de Filippis, G.; Perroni, C.A. Transport properties and optical conductivity of the adiabatic Su-Schrieffer-Heeger model: A showcase study for rubrene-based field effect transistors. Phys. Rev. B 2011, 83, 165203.
31. Ortmann, F.; Bechstedt, F.; Hannewald, K. Theory of charge transport in organic crystals: Beyond Holstein’s small-polaron model. Phys. Rev. B 2009, 79, 235206.
32. Perroni, C.A.; Nocera, A.; Ramaglia, V.M.; Cataudella, V. Spectral, optical, and transport properties of the adiabatic anisotropic Holstein model: Application to slightly doped organic semiconductors. Phys. Rev. B 2011, 83, 245107.
33. Gargiulo, F.; Perroni, C.A.; Ramaglia, V.M.; Cataudella, V. Electronic transport within a quasi-two-dimensional model for rubrene single-crystal field effect transistors. Phys. Rev. B 2011, 84, 245204.
34. Hannewald, K.; Bobbert, P.A. Ab initio theory of charge-carrier conduction in ultrapure organic crystals. Appl. Phys. Lett. 2004, 85, 1535–1537.
35. Hannewald, K.; Stojanovíc V. M., Schellekens J.M. T., Bobbert, P.A. Theory of polaron bandwidth narrowing in organic molecular crystals. Phys. Rev. B 2004, 69, 075211.
36. Perroni, C.A.; Ramaglia, V.M.; Cataudella, V. Effects of electron coupling to intramolecular and intermolecular vibrational modes on the transport properties of single-crystal organic semiconductors. Phys. Rev. B 2011, 84, 014303.
37. Perroni, C.A.; Cataudella, V. Interplay between electron-phonon coupling and disorder strength on the transport properties of organic semiconductors. Phys. Rev. B 2012, 85, 155205.
38. Perroni, C.A.; Cataudella, V. Bipolaron formation in organic semiconductors at the interface with dielectric gates. Europhys. Lett. 2012, 98, 47004.
39. Holstein, T. Studies of polaron motion: Part I. The molecular-crystal model. Ann. Phys. 1959, 8, 325–342.
40. Holstein, T. Studies of polaron motion: Part II. The small polaron. Ann. Phys. 1959, 8, 343–389.
41. Shehu, A.; Quiroga, S.D.; D’Angelo, P.; Albonetti, C.; Borgatti, F.; Murgia, M.; Scorzoni, A.; Stoliar, P.; Biscarini, F. Layered Distribution of Charge Carriers in Organic Thin Film Transistors. Phys. Rev. Lett. 2010, 104, 246602.
42. Girlando, A.; Grisanti, L.; Masino, M. Peierls and Holstein carrier-phonon coupling in crystalline rubrene. Phys. Rev. B 2010, 82, 035208.
43. Venuti, E.; Billotti, I.; della Valle, R.G.; Brillante, A.; Ranzieri, P.; Masino, M.; Girlando, A. Polarized Raman Spectra of a Rubrene Single Crystal. J. Phys. Chem. C 2008, 112, 17416–17422.
44. Nocera, A.; Perroni, C.A.; Ramaglia, V.M.; Cataudella, V. Stochastic dynamics for a single vibrational mode in molecular junctions. Phys. Rev. B 2011, 83, 115420.
45. Nocera, A.; Perroni, C.A.; Ramaglia, V.M.; Cataudella, V. Probing nonlinear mechanical effects through electronic currents: The case of a nanomechanical resonator acting as an electronic transistor. Phys. Rev. B 2012, 86, 035420.
46. Nocera, A.; Perroni, C.A.; Ramaglia, V.M.; Cantele, G.; Cataudella, V. Magnetic effects on nonlinear mechanical properties of a suspended carbon nanotube. Phys. Rev. B 2013, 87, 155435.
47. Perroni, C.A.; Nocera, A.; Cataudella, V. Single-parameter charge pumping in carbon nanotube resonators at low frequency. Europhys. Lett. 2013, 103, 58001.
48. Perroni, C.A.; Romeo, F.; Nocera, A.; Ramaglia, V.M.; Citro, R.; Cataudella, V. Noise-assisted Thouless pump in elastically deformable molecular junctions. arXiv:1307.6834v1 [cond-mat.mes-hall] 2013.
49. Mahan, G.D. Many-Particle Physics, 2nd ed.; Plenum Press: New York, NY, USA, 1990.
50. Economou, E.N. Green’s Functions in Quantum Physics; Springer Verlag: Berlin, Germany, 1983.
51. Perroni, C.A.; Piegari, E.; Capone, M.; Cataudella, V. Polaron formation for nonlocal electron-phonon coupling: A variational wave-function study. Phys. Rev. B 2004, 69, 174301.
52. Gunnarsson, O.; Calandra, M.; Han, J.E. Colloquium: Saturation of electrical resistivity. Rev. Mod. Phys. 2003, 75, 1085–1099.
53. Hannewald, K.; Bobbert, P.A. Anisotropy effects in phonon-assisted charge-carrier transport in organic molecular crystals. Phys. Rev. B 2004, 69, 075212.
54. Ishii, H.; Kobayashi, N.; Hirose, K. Strong anisotropy of momentum-relaxation time induced by intermolecular vibrations of single-crystal organic semiconductors. Phys. Rev. B 2013, 88, 205208.
55. Piegari, E.; Perroni, C.A.; Cataudella, V. Signatures of polaron formation in systems with local and non-local electron-phonon couplings. Eur. Phys. J. B 2005, 44, 415–421.
56. Ciuchi, S.; Fratini, S. Band Dispersion and Electronic Lifetimes in Crystalline Organic Semiconductors. Phys. Rev. Lett. 2011, 106, 166403.
57. Lang, I.J.; Firsov, Y.A. Kinetic Theory of Semiconductors with Low Mobility. Sov. Phys. JETP 1963, 16, 1301.
58. Iorio, A.; Perroni, C.A.; Ramaglia, V.M.; Cataudella, V. Electron-lattice and strain effects in manganite heterostructures: The case of a single interface. Phys. Rev. B 2011, 83, 085107.
59. Vukmirovic, N.; Bruder, C.; Stojanovíc, V.M. Electron-Phonon Coupling in Crystalline Organic Semiconductors: Microscopic Evidence for Nonpolaronic Charge Carriers. Phys. Rev. Lett. 2012, 109, 126407.
60. Kirova, N.; Bussac, M.-N. Self-trapping of electrons at the field-effect junction of a molecular crystal. Phys. Rev. B 2003, 68, 235312.
61. Li, Y.; Coropceanu, V.; Bredas, J.-L. Thermal Narrowing of the Electronic Bandwidths in Organic Molecular Semiconductors: Impact of the Crystal Thermal Expansion. J. Phys. Chem. Lett. 2012, 3, 3325–3329.
62. Ortmann, F.; Hannewald, K.; Bechstedt, F. Ab initio description and visualization of charge transport in durene crystals. App. Phys. Lett. 2008, 93, 222105.
63. Ortmann, F.; Hannewald, K.; Bechstedt, F. Charge Transport in Guanine-Based Materials. J. Phys. Chem. B 2009, 113, 7367–7371.