2003/05/31 by Geert Brocks, Jeroen van den Brink, Alberto F. Morpurgo · 3 citations
Chemistry · Engineering · Physics and Astronomy · #Fullerene Chemistry and Applications #Organic Electronics and Photovoltaics #Semiconductor materials and interfaces #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.1103/physrevlett.93.146405
published as Phys. Rev. Lett. 93, 146405 (2004) · 5 pages, 3 figures
openalex publication_date 2004/09/30 · arxiv created 2004/10/25 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
From first-principles calculations we determine the Coulomb interaction between two holes on oligo-acene and -thiophene molecules in a crystal, as a function of the oligomer length. The electronic polarization of the molecules that surround the charged oligomer reduces the bare Coulomb repulsion between the holes by approximately a factor of 2. The effects of relaxing the molecular geometry in the presence of holes is found to be significantly smaller. In all cases the effective hole-hole repulsion is much larger than the valence bandwidth, which implies that at high doping levels the properties of these organic semiconductors are determined by electron-electron correlations.