Lattice exciton-polaron problem by quantum Monte Carlo simulations

Bipolaron formation in 1D-3D quantum dots: A lattice quantum Monte Carlo approach

Polaron and bipolaron formation in the Holstein-Hubbard model with harmonic confinement potential, relevant to quantum dot structures, is investigated in one to three dimensions by means of unbiased quantum Monte Carlo simulations. The discrete nature of the lattice and quantum phonon effects are fully taken into account. The dependence on phonon frequency, Coulomb repulsion, confinement streng...

Lang-Firsov approaches to polaron physics: From variational methods to unbiased quantum Monte Carlo simulations

Fröhlich polaron and bipolaron: recent developments

It is remarkable how the Fröhlich polaron, one of the simplest examples of a Quantum Field Theoretical problem, as it basically consists of a single fermion interacting with a scalar Bose field of ion displacements, has resisted full analytical or numerical solution at all coupling since ∼ 1950, when its Hamiltonian was first written. The field has been a testing ground for analytical, semi-ana...

Theory and simulation of amorphous organic electronic devices

The electronic properties of amorphous organic thin films are of great interest due to their application in devices such as light emitting devices, solar cells, photodetectors, and lasers. Compared to conventional inorganic semiconductors, amorphous organic thin films have the potential to enable entirely new functionality, larger areas, higher efficiencies, flexible substrates, and inexpensive...

Trapping of lattice polarons by impurities

We consider the effects of impurities on polarons in three-dimensions (3D) using a continuous time quantum Monte-Carlo algorithm. An exact treatment of the phonon degrees of freedom leads to a very efficient algorithm and we are able to compute the polaron dynamics on an infinite lattice by developing an auxiliary weighting scheme. The magnitude of the impurity potential, the electronphonon cou...