Strong electron-electron and electron-phonon interactions in one- and two-dimensional solids
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The effect of dimensionality on materials properties has become strikingly evident with the recent discovery of graphene. Charge ordering phenomena can be induced in one dimension by periodic distortions of a material's crystal structure, termed Peierls or ...
The quasi-one-dimensional metallic system BaVS3 with a metal-insulator transition at T-MI=70 K shows large changes in the optical phonon spectrum, a central peak, and an electronic Raman scattering continuum that evolve in a three-step process. Motivated b ...
This thesis presents the results of a concerted effort to understand the complex array of physical properties exhibited by the BaVS3 family of materials. As a 3d1 system, BaVS3 displays a unique collection of correlation-driven phenomena, including a metal ...
Among the correlated electronic systems, BaVS3 which exhibits both itinerant and localized states as well as a subtle interplay betwen charge, orbital, spin and lattice degrees of freedom, is a model system. Its electronic structure consists in a broad qua ...
An atomistic model of substoichiometric germanium oxide is generated through ab initio molecular dynamics. The resulting structure shows a predominance of threefold coordinated Ge and O atoms. We also generate substoichiometric models through bond-switchin ...
Macroscopic quantum phenomena such as high-temperature superconductivity, colossal magnetoresistance, ferrimagnetism and ferromagnetism arise from a delicate balance of different interactions among electrons, phonons and spins on the nanoscale(1). The stud ...
The dynamics of the photoinduced commensurate-to-incommensurate charge density wave (CDW) phase transition in 4H(b)-TaSe2 are investigated by femtosecond electron diffraction. In the perturbative regime, the CDW re-forms on a 150-ps time scale, which is tw ...
Calculations of formation energies and charge transition levels of defects routinely rely on density functional theory (DFT) for describing the electronic structure. Since bulk band gaps of semiconductors and insulators are not well described in semilocal ...
Conditions for a transition from the insulator (I) to metal (M) state in the electron system of highly oriented pyrolytic graphite (HOPG) have been studied by means of magnetotransport measurements in a broad temperature range (0.3–150 K). In magnetic fiel ...
In this thesis we study the interplay between electronic correlations and geometry in single-walled carbon nanotubes by microscopic model calculations. Electronic correlations are expected to be strong because of the low dimensionality of carbon nanotubes. ...