TY - JOUR
T1 - Symmetry effects on nonlocal electron-phonon coupling in organic semiconductors
AU - Li, Yuan
AU - Yi, Yuanping
AU - Coropceanu, Veaceslav
AU - Brédas, Jean Luc
PY - 2012/6/1
Y1 - 2012/6/1
N2 - The electronic and electrical properties of crystalline organic semiconductors, such as the dispersions of the electronic bands and the dependence of charge-carrier mobility on temperature, are greatly impacted by the nonlocal electron-phonon interactions associated with intermolecular lattice vibrations. Here, we present a theoretical description that underlines that these properties vary differently as a function of the symmetry of the nonlocal electron-phonon coupling mechanism. The electron-phonon coupling patterns in real space are seen to have a direct and significant impact on the interactions in reciprocal space. Our findings demonstrate the importance of aspects that are usually missing in current transport models. Importantly, an adequate description of the electronic and charge-transport properties of organic semiconductors requires that the models take into account both antisymmetric and symmetric contributions to the nonlocal electron-phonon coupling mechanism.
AB - The electronic and electrical properties of crystalline organic semiconductors, such as the dispersions of the electronic bands and the dependence of charge-carrier mobility on temperature, are greatly impacted by the nonlocal electron-phonon interactions associated with intermolecular lattice vibrations. Here, we present a theoretical description that underlines that these properties vary differently as a function of the symmetry of the nonlocal electron-phonon coupling mechanism. The electron-phonon coupling patterns in real space are seen to have a direct and significant impact on the interactions in reciprocal space. Our findings demonstrate the importance of aspects that are usually missing in current transport models. Importantly, an adequate description of the electronic and charge-transport properties of organic semiconductors requires that the models take into account both antisymmetric and symmetric contributions to the nonlocal electron-phonon coupling mechanism.
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U2 - 10.1103/PhysRevB.85.245201
DO - 10.1103/PhysRevB.85.245201
M3 - Article
AN - SCOPUS:84863329827
SN - 1098-0121
VL - 85
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 24
M1 - 245201
ER -