TY - JOUR
T1 - Nonlocal electron-phonon coupling in organic semiconductor crystals
T2 - The role of acoustic lattice vibrations
AU - Li, Yuan
AU - Coropceanu, Veaceslav
AU - Brédas, Jean Luc
PY - 2013/5/28
Y1 - 2013/5/28
N2 - We discuss, in the context of a tight-binding description, how the electronic and charge-transport properties in single crystals of molecular organic semiconductors are affected by the nonlocal electron-phonon coupling to both acoustic and optical lattice vibrations. While the nonlocal electron-phonon interactions can in general be divided into contributions from symmetric modes and antisymmetric modes, we show that only the antisymmetric coupling mechanism is operational in the case of acoustic vibrations. Interestingly, when the quantum nature of the phonons can be neglected, the effect of electron-phonon interactions with acoustic phonons is found to be equivalent to that of the electron-phonon interactions with optical phonons, in the case where contributions from symmetric and antisymmetric modes are equal.
AB - We discuss, in the context of a tight-binding description, how the electronic and charge-transport properties in single crystals of molecular organic semiconductors are affected by the nonlocal electron-phonon coupling to both acoustic and optical lattice vibrations. While the nonlocal electron-phonon interactions can in general be divided into contributions from symmetric modes and antisymmetric modes, we show that only the antisymmetric coupling mechanism is operational in the case of acoustic vibrations. Interestingly, when the quantum nature of the phonons can be neglected, the effect of electron-phonon interactions with acoustic phonons is found to be equivalent to that of the electron-phonon interactions with optical phonons, in the case where contributions from symmetric and antisymmetric modes are equal.
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U2 - 10.1063/1.4807886
DO - 10.1063/1.4807886
M3 - Article
AN - SCOPUS:84879376745
SN - 0021-9606
VL - 138
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 20
M1 - 204713
ER -