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Register a new userExcited States of Ladder-type Poly-p-phenylene Oligomers
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Ground state properties and excited states of ladder-type paraphenylene oligomers are calculated applying semiempirical methods for up to eleven phenylene rings. The results are in qualitative agreement with experimental data. A new scheme to interpret the excited states is developed which reveals the excitonic nature of the excited states. The electron-hole pair of the S1-state has a mean distance of approximately 4 Angstroem.
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A density matrix renormalisation group scheme is developed, allowing for the first time essentially exact numerical solutions for the important excited states of a realistic semi-empirical model for oligo-phenylenes. By monitoring the evolution of the energies with chain length and comparing them to the experimental absorption peaks of oligomers and thin films, we assign the four characteristic absorption peaks of phenyl-based polymers. We also determine the position and nature of the nonlinear optical states in this model.
Using an electrochemically gated transistor, we achieved controlled and reversible doping of poly(p-phenylene vinylene) in a large concentration range. Our data open a wide energy-window view on the density of states (DOS) and show, for the first time, that the core of the DOS function is Gaussian, while the low-energy tail has a more complex structure. The hole mobility increases by more than four orders of magnitude when the electrochemical potential is scanned through the DOS.
The two-state molecular orbital model of the one-dimensional phenyl-based semiconductors is applied to poly(p-phenylene vinylene). The energies of the low-lying excited states are calculated using the density matrix renormalization group method. Calculations of both the exciton size and the charge gap show that there are both Bu and Ag excitonic levels below the band threshold. The energy of the 1Bu exciton extrapolates to 2.60 eV in the limit of infinite polymers, while the energy of the 2Ag exciton extrapolates to 2.94 eV. The calculated binding energy of the 1Bu exciton is 0.9 eV for a 13 phenylene unit chain and 0.6 eV for an infinite polymer. This is expected to decrease due to solvation effects. The lowest triplet state is calculated to be at ca. 1.6 eV, with the triplet-triplet gap being ca. 1.6 eV. A comparison between theory, and two-photon absorption and electroabsorption is made, leading to a consistent picture of the essential states responsible for most of the third-order nonlinear optical properties. An interpretation of the experimental nonlinear optical spectroscopies suggests an energy difference of ca. 0.4 eV between the vertical energy and ca. 0.8 eV between the relaxed energy, of the 1Bu exciton and the band gap, respectively.
The low-lying singlet and triplet spectrum in conjugated polymers clearly show that the mechanism proposed by Lin et al. to explain their electric field dependence of singlet to triplet yield ratios is wrong. This comment, from theoretical spectrum obtained for long polyenes, shows that the phonon bottleneck proposed by Lin et al. for triplets in polyenes cannot exist.
A quantum dot fabricated by scanning probe oxidation lithography on a p-type, C-doped GaAs/AlGaAs heterostructure is investigated by low temperature electrical conductance measurements. Clear Coulomb blockade oscillations are observed and analyzed in terms of sequential tunneling through the single-particle levels of the dot at T_hole = 185 mK. The charging energies as large as 2 meV evaluated from Coulomb diamond measurements together with the well resolved single-hole excited state lines in the charge stability diagram indicate that the dot is operated with a small number of confined particles close to the ultimate single-hole regime.
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