C. de Graaf, ∗ C. Sousa, and R. Broer Department of Physical and Inorganic Chemistry, Universitat Rovira i Virgili Plaça Imperial Tàrraco 1, 43005 Tarragona, Spain Departament de Qúımica F́ısica and Parc Cient́ıfic, Universitat de Barcelona C/ Mart́ı i Franquès 1, 08028 Barcelona, Spain Theoretical Chemistry, Materials Science Centre, Rijksuniversiteit Groningen Nijenborgh 4, 9747 AG Groningen, Th...

Understanding the nature of polarons – the fundamental charge carriers in molecular semiconductors – is indispensable for rational material design that targets superior (opto-) electronic device functionality. The traditionally conceived picture of the corresponding energy levels invokes singly occupied molecular states within the energy gap of the semiconductor. Here, by employing a combined t...

The local structure of La 1 .~Ca~MnO 3 is determined from pair-distribution function (PDF) analysis of pulsed neutron diffraction. We have compared the effect on the local structure of crossing the metal-insulator transition as a function of temperature and composition. Crossing the metal insulator boundary at low temperature by varying the composition yields similar distortions to those seen i...

We present a hybrid quantum-classical simulation of charge-polaron transport in conjugated polymers. The charge, which couples to the angular rotations monomers, is modeled via time-dependent Schr\"odinger equation, while monomers are treated classically Ehrenfest equations motion. In addition, system thermalized by assuming that subject Brownian fluctuations Langevin equation. Charge coupling ...

We study the properties of an impurity immersed in a weakly interacting Bose gas, i.e., polaron. In perturbatively-tractable limit weak impurity-boson interactions many its are known to depend only on scattering length. Here we demonstrate that for strong (unitary) all static quasiproperties polaron dilute such as energy, residue, Tan's contact and number bosons trapped nearby impurity, potenti...

The recombination of photoinduced free Nb(4+)(Nb) and bound Nb(4+)(Li) small polarons toNb(4+)(Li): Nb(4+)(Nb) bipolarons is investigated in nominally pure, reduced LiNbO(3) single crystals by means of excited-state-absorption spectroscopy. We discovered a two-component decay of the light-induced absorption alpha(li)(t) for probe light at lambda=785 nm and moderate pump beam intensities (I(p) <...

"The influence of charge and magnetic order on polaron and acoustic phonon dynamics in LuFe 2 O 4 " (2015). Faculty Publications from Nebraska Center for Materials and Nanoscience. 117.

Gate bias-induced stress has been investigated on sexithiophene-based ransistors. It was found that both a negative and a positive threshold voltage shift can be induced. Temperature-dependent measurements show that there are two processes involved in the negative threshold voltage shift, one occurring at T ˜ 220 K and the other at T˜ 300 K. These two transition temperatures were interpreted in...