Electronic structure of bis(benzo)pentathienoacene in gas and solid phase: ultraviolet photoemission spectroscopy and energy band calculation

• Published in: Applied physics. A, Materials science & processing Vol. 95; no. 1; pp. 185 - 191
• Main Authors: Yoshida, Hiroyuki, Watazu, Yuji, Sato, Naoki, Okamoto, Toshihiro, Yamaguchi, Shigehiro
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01.04.2009; Springer Nature B.V
• Subjects: Adiabatic flow; Applied physics; Characterization and Evaluation of Materials; Condensed Matter Physics; Crystal structure; Crystallinity; Current carriers; Density; Electronic structure; Energy bands; Machines; Manufacturing; Materials science; Mathematical analysis; Molecular structure; Nanotechnology; Optical and Electronic Materials; Photoelectric emission; Physics; Processes; Single crystals; Solid phases; Substrates; Surfaces and Interfaces; Thin Films; Transport properties; Ultraviolet; Vacuum deposited films; 71.20.Rv; 73.61.Ph; 79.60.Fr; 72.80.Le
• ISSN: 0947-8396; 1432-0630
• DOI: 10.1007/s00339-008-5004-2

Ultraviolet photoemission spectroscopic measurements of bis (benzo)pentathienoacene were carried out in gas and solid phase. For the measurements of solid phase, vacuum deposited films in both amorphous and crystalline phase were prepared on different substrates of HOPG and polycrystalline Au, respectively. The adiabatic ionization energies were determined to be 6.8 4 , 5.3 2 , and 5.0 8  eV, for gas, amorphous, and crystalline phases, respectively. The spectral lineshapes were interpreted with the aid of the density functional calculations for both isolated molecule and single-crystal structure. The calculated electronic structures were further analyzed in terms of the energy band dispersion and the transport properties of charge carriers.