Abstract
By unifying two prominent theories of electron-phonon coupling, a new theoretical framework provides an efficient and realistic toolkit for improving the performance of organic-based semiconductors and superconductors.
Highlights
Organic semiconductors are a promising class of soft materials with applications in photovoltaics, display technologies, and plastic electronics [1,2,3]
If the incoherent phonon term is neglected, the nearest-neighbor case has a scaling of L2Nt, which is the typical cost of the nearest-neighbor semiclassical dynamic disorder approach at finite temperature: There are L singleparticle eigenstates, and each eigenstate trajectory has a cost that is proportional to L [32]
For the case of simultaneous Peierls and moderate Holstein coupling, we see that the dispersion and satellite structure largely depend on the Holstein coupling gH, whereas the Peierls dynamic disorder contributes a broadening in frequency and momentum
Summary
Organic semiconductors are a promising class of soft materials with applications in photovoltaics, display technologies, and plastic electronics [1,2,3]. Many of the material parameters that govern charge transport in most OMCs—the electronic bandwidth, phonon energy, and electron-phonon coupling strength—exist on energy scales that are comparable to one another and to kBT, precluding any simple perturbative treatment In this state of affairs, two theoretical pictures have emerged, which focus on two distinct forms of electronphonon coupling. The second picture is that of dynamic disorder or transient localization due to strong nonlocal coupling to intermolecular vibrations [20,21,22,23] In this case, the delocalized coherent evolution of the electronic wave function cannot be neglected, but nuclear quantum effects are considered insignificant.
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