Intermolecular band dispersion in highly ordered monolayer and multilayer films of pentacene on Cu(110)

Yamane, Hiroyuki; Kawabe, Eiji; Yoshimura, Daisuke; Sumii, Ryohei; Kanai, Kaname; Ouchi, Yukio; Ueno, Nobuo; Seki, Kazuhiko

doi:10.1002/pssb.200743448

Cited by 35 publications

(26 citation statements)

References 27 publications

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“…Field-effect mobility of 15-40 cm 2 /Vs is reported for carefully fabricated pentacene single crystal FETs with organic gate insulators [31]. Over 10 cm 2 /Vs mobility is also expected from the hole effective masses estimated from band calculation for single crystals [32] and angle-resolved ultraviolet photoemission spectroscopy against single-crystal-like monolayers on atomically flat substrates [33,34]. These values are over ten times as large as that obtained in this work.…”

Section: Intrinsic Limiting Factors Of Carrier Mobility In Pentacene supporting

confidence: 63%

Carrier Mobility in Organic Thin-film Transistors: Limiting Factors and Countermeasures

Nakamura

Matsubara

2014

J. Photopol. Sci. Technol.

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Device physics in organic thin-film transistors (OTFTs) have been extensively studied along with the efforts to improve device performance and to develop their applications. Among many promising organic semiconducting materials, pentacene has been a benchmark in this research field. Understanding the bottlenecks of carrier transport in pentacene OTFTs is therefore important to maximize the performance of OTFTs. In this paper, we summarize our knowledge on the bottlenecks against carrier transport in practical polycrystalline organic thin films: extrinsic factors that disturb the carrier transport in OTFTs, intrinsic structure and properties, equations to express the overall carrier mobility in polycrystalline films, and influence of surface chemical modification on the crystallographic and electronic structures.

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Section: Intrinsic Limiting Factors Of Carrier Mobility In Pentacene supporting

confidence: 63%

Carrier Mobility in Organic Thin-film Transistors: Limiting Factors and Countermeasures

Nakamura

Matsubara

2014

J. Photopol. Sci. Technol.

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“…Pentacene ͑C 22 H 14 ͒ is one of the most promising organic compounds for OFETs, 23 and the interaction between pentacene and metal surfaces has been studied extensively both experimentally and theoretically. 13,[24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40][41][42] Especially, the pentacene-Cu͑111͒ distance has been determined experimentally. 13 Thus, pentacene/metal interfaces are ideal systems to systematically investigate the origins for the interfacial dipoles and to compare theoretical and experimental results in detail.…”

Section: Introductionmentioning

confidence: 99%

Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: Vacuum level shifts and electronic structures

Toyoda

Hamada

Lee

et al. 2010

The Journal of Chemical Physics

128

161

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In order to clarify factors determining the interface dipole, we have studied the electronic structures of pentacene adsorbed on Cu͑111͒, Ag͑111͒, and Au͑111͒ by using first-principles density functional theoretical calculations. In the structural optimization, a semiempirical van der Waals ͑vdW͒ approach ͓S. Grimme, J. Comput. Chem. 27, 1787 ͑2006͔͒ is employed to include long-range vdW interactions and is shown to reproduce pentacene-metal distances quite accurately. The pentacene-metal distances for Cu, Ag, and Au are evaluated to be 0.24, 0.29, and 0.32 nm, respectively, and work function changes calculated by using the theoretically optimized adsorption geometries are in good agreement with the experimental values, indicating the validity of the present approach in the prediction of the interface dipole at metal/organic interfaces. We examined systematically how the geometric factors, especially the pentacene-substrate distance ͑Z C ͒, and the electronic properties of the metal substrates contribute to the interface dipole. We found that at Z C Ն 0.35 nm, the work function changes ͑⌬'s͒ do not depend on the substrate work function ͑ m ͒, indicating that the interface level alignment is nearly in the Schottky limit, whereas at Z C Յ 0.25 nm, ⌬'s vary nearly linearly with m , and the interface level alignment is in the Bardeen limit. Our results indicate the importance of both the geometric and the electronic factors in predicting the interface dipoles. The calculated electronic structure shows that on Au, the long-range vdW interaction dominates the pentacene-substrate interaction, whereas on Cu and Ag, the chemical hybridization contributes to the interaction.

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“…Several strategies to avoid charging and beam damage have been developed in the past years. Amongst them are the preparation of highly crystalline thin films [20][21][22][23][24][25][26][27][28][29][30], the cancelling of photo-holes by simultaneous irradiation with visible laser light [31][32][33], and last but not least simply the reduction of the synchrotron photon flux. The latter, however, bears the disadvantage of lower signal intensity and thereby decreasing signal-to-noise ratio at reasonable spectrum accumulation times.…”

Section: Introductionmentioning

confidence: 99%

Two dimensional band structure mapping of organic single crystals using the new generation electron energy analyzer ARTOF

Vollmer

Ovsyannikov

Gorgoi

et al. 2012

Journal of Electron Spectroscopy and Related Phenomena

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Two dimensional band structure mapping of organic single crystals using the new generation electron energy analyzer ARTOF. Spectroscopy and Related Phenomena, Journal of Electron AbstractWe report on a novel type of photoemission detector, the Angle Resolved Time Of Flight electron energy analyzer (ARTOF), which enables electronic band structure determination under measurement conditions that are ideal for radiation-sensitive samples. This is facilitated through the combination of very high electron transmission and wide accessible angular range in one geometry. These properties make the ARTOF predestined to investigate specimens that strongly suffer from radiation damage during photoemission experiments under "standard"conditions, such as organic single crystals, as extremely low fluxes can be used while not compromising spectra accumulation times and signal-to-noise ratio. Even though organic single crystals are of increasing fundamental and applied scientific interest, knowledge of their electronic properties is still largely based on theoretical calculations due to major experimental challenges in measuring photoemission. In this work we show that the band structures of rubrene and tetracene single crystals can be obtained with unprecedented quality 2 using the ARTOF detector. The dispersion of the highest occupied band in rubrene is confirmed in accordance with an earlier report [1] and we disclose the absence of notable dispersion for the highest occupied energy level in the tetracene single crystal.

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Intermolecular band dispersion in highly ordered monolayer and multilayer films of pentacene on Cu(110)

Cited by 35 publications

References 27 publications

Carrier Mobility in Organic Thin-film Transistors: Limiting Factors and Countermeasures

Carrier Mobility in Organic Thin-film Transistors: Limiting Factors and Countermeasures

Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: Vacuum level shifts and electronic structures

Two dimensional band structure mapping of organic single crystals using the new generation electron energy analyzer ARTOF

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