Photoinduced charge separation in Q1D heterojunction materials: evidence for electron-hole pair separation in mixed-halide MX solids

Abstract
Resonance Raman experiments on doped and photoexcited single crystals of mixed-halide MX complexes (M=Pt; X-Cl, Br) clearly indicate charge separation: electron polarons preferentially locate on PtBr segments while hole polarons are trapped within PtCl segments. This polaron selectivity, potentially very useful for device applications, is demonstrated theoretically using a discrete, 3/4-filled, two-band, tight-binding, extended Peierls-Hubbard model. Strong hybridization of the PtCl and PtBr electronic bands is the driving force for separation.
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