91 research outputs found

    Ab initio

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    On the Munn-Silbey approach to polaron transport with off-diagonal coupling

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    Improved results using a method similar to the Munn-Silbey approach have been obtained on the temperature dependence of transport properties of an extended Holstein model incorporating simultaneous diagonal and off-diagonal exciton-phonon coupling. The Hamiltonian is partially diagonalized by a canonical transformation, and optimal transformation coefficients are determined in a self-consistent manner. Calculated transport properties exhibit substantial corrections on those obtained previously by Munn and Silbey for a wide range of temperatures thanks to a numerically exact evaluation and an added momentum-dependence of the transformation matrix. Results on the diffusion coefficient in the moderate and weak coupling regime show distinct band-like and hopping-like transport features as a function of temperature.Comment: 12 pages, 6 figures, accpeted in Journal of Physical Chemistry B: Shaul Mukamel Festschrift (2011

    Linear plasmon dispersion in single-wall carbon nanotubes and the collective excitation spectrum of graphene

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    We have measured a strictly linear pi-plasmon dispersion along the axis of individualized single wall carbon nanotubes, which is completely different from plasmon dispersions of graphite or bundled single wall carbon nanotubes. Comparative ab initio studies on graphene based systems allow us to reproduce the different dispersions. This suggests that individualized nanotubes provide viable experimental access to collective electronic excitations of graphene, and it validates the use of graphene to understand electronic excitations of carbon nanotubes. In particular, the calculations reveal that local field effects (LFE) cause a mixing of electronic transitions, including the 'Dirac cone', resulting in the observed linear dispersion

    Polariton condensation and lasing in optical microcavities - the decoherence driven crossover

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    We explore the behaviour of a system which consists of a photon mode dipole coupled to a medium of two-level oscillators in a microcavity in the presence of decoherence. We consider two types of decoherence processes which are analogous to magnetic and non-magnetic impurities in superconductors. We study different phases of this system as the decoherence strength and the excitation density is changed. For a low decoherence we obtain a polariton condensate with comparable excitonic and photonic parts at low densities and a BCS-like state with bigger photon component due to the fermionic phase space filling effect at high densities. In both cases there is a large gap in the density of states. As the decoherence is increased the gap is broadened and suppressed, resulting in a gapless condensate and finally a suppression of the coherence in a low density regime and a laser at high density limit. A crossover between these regimes is studied in a self-consistent way analogous to the Abrikosov and Gor'kov theory of gapless superconductivity.Comment: 17 pages, 8 figures, submitted to PR

    Role of bound pairs in the optical properties of highly excited semiconductors: a self consistent ladder approximation approach

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    Presence of bound pairs (excitons) in a low-temperature electron-hole plasma is accounted for by including correlation between fermions at the ladder level. Using a simplified one-dimensional model with on-site Coulomb interaction, we calculate the one-particle self-energies, chemical potential, and optical response. The results are compared to those obtained in the Born approximation, which does not account for bound pairs. In the self-consistent ladder approximation the self-energy and spectral function show a characteristic correlation peak at the exciton energy for low temperature and density. In this regime the Born approximation overestimates the chemical potential. Provided the appropriate vertex correction in the interaction with the photon is included, both ladder and Born approximations reproduce the excitonic and free pair optical absorption at low density, and the disappearance of the exciton absorption peak at larger density. However, lineshapes and energy shifts with density of the absorption and photoluminescence peaks are drastically different. In particular, the photoluminescence emission peak is much more stable in the ladder approximation. At low temperature and density a sizeable optical gain is produced in both approximations just below the excitonic peak, however this gain shows unphysical features in the Born approximation. We conclude that at low density and temperature it is fundamental to take into account the existence of bound pairs in the electron-hole plasma for the calculation of its optical and thermodynamic properties. Other approximations that fail to do so are intrinsically unphysical in this regime, and for example are not suitable to address the problem of excitonic lasing.Comment: 14 pages, 12 figure
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