Orbital-Peierls State in NaTiSi2O6

Does the quasi one-dimensional titanium pyroxene NaTiSi2O6 exhibit the novel {\it orbital-Peierls} state? We calculate its groundstate properties by three methods: Monte Carlo simulations, a spin-orbital decoupling scheme and a mapping onto a classical model. The results show univocally that for the spin and orbital ordering to occur at the same temperature --an experimental observation-- the crystal field needs to be small and the orbitals are active. We also find that quantum fluctuations in the spin-orbital sector drive the transition, explaining why canonical bandstructure methods fail to find it. The conclusion that NaTiSi2O6 shows an orbital-Peierls transition is therefore inevitable.Comment: 4 pages, 3 figure

Determining the Electron-Phonon Coupling Strength in Correlated Electron Systems from Resonant Inelastic X-ray Scattering

We show that high resolution Resonant Inelastic X-ray Scattering (RIXS) provides direct, element-specific and momentum-resolved information on the electron-phonon (e-p) coupling strength. Our theoretical analysis demonstrates that the e-p coupling can be extracted from RIXS spectra by determining the differential phonon scattering cross section. An alternative, very direct manner to extract the coupling is to use the one and two-phonon loss ratio, which is governed by the e-p coupling strength and the core-hole life-time. This allows measurement of the e-p coupling on an absolute energy scale.Comment: 4 pages, 3 figure

The essay film.

This thesis on the essay film is written from the film maker's point of view, following the production of the film The Man Who Couldn't Feel and Other Tales, (54 min, 16mm). The film and the thesis together form the PhD submission. Examination of the completed film led to the definition of the essay film as an avantgarde, non-fiction film genre. The thesis rejects the current positioning of the essay film as a part of the documentary genre. The essay film creates an aesthetic coherence through the use of image and sound fragments, narrative and nonnarrative structures, 'methodically unmethodically' edited together. The essay film follows Vertov's and Astruc's steps in 'writing' fragments as they occur to the film maker, which are in turn put together using the editing traditions of the film avantgarde and modernist poetry. The film maker's presence in the essay film results in the cinematic 'text' becoming the 'reflective text' - the mediating medium between the film maker and the spectator. Beside its avant-garde roots, the genre owes much to the literary essay tradition established since Michel de Montaigne. Many of the literary essay's aesthetic, thematic and structural elements are to be found in the essay film genre. Each and every essay film is unique in its structure, and the genre as a whole does not conform to a pre-determined cinematic construction. Nevertheless, the thesis charts some useful characteristics and definitions for the establishment of an independent essay film genre

KCrF_3: Electronic Structure, Magnetic and Orbital Ordering from First Principles

The electronic, magnetic and orbital structures of KCrF_3 are determined in all its recently identified crystallographic phases (cubic, tetragonal, and monoclinic) with a set of {\it ab initio} LSDA and LSDA+U calculations. The high-temperature undistorted cubic phase is metallic within the LSDA, but at the LSDA+U level it is a Mott insulator with a gap of 1.72 eV. The tetragonal and monoclinic phases of KCrF_3 exhibit cooperative Jahn-Teller distortions concomitant with staggered 3x^2-r^2/3y^2-r^2 orbital order. We find that the energy gain due to the Jahn-Teller distortion is 82/104 meV per chromium ion in the tetragonal/monoclinic phase, respectively. These phases show A-type magnetic ordering and have a bandgap of 2.48 eV. In this Mott insulating state KCrF_3 has a substantial conduction bandwidth of 2.1 eV, leading to the possibility for the kinetic energy of charge carriers in electron- or hole-doped derivatives of KCrF_3 to overcome the polaron localization at low temperatures, in analogy with the situation encountered in the colossal magnetoresistive manganites.Comment: 7 pages, 11 figure

Non conventional screening of the Coulomb interaction in low dimensional and finite size system

We study the screening of the Coulomb interaction in non polar systems by polarizable atoms. We show that in low dimensions and small finite size systems this screening deviates strongly from that conventionally assumed. In fact in one dimension the short range interaction is strongly screened and the long range interaction is anti-screened thereby strongly reducing the gradient of the Coulomb interaction and therefore the correlation effects. We argue that this effect explains the success of mean field single particle theories for large molecules.Comment: 4 pages, 5 figure

Optical conductivity in A3C60 (A=K, Rb)

We study the optical conductivity in A3C60 (A =K, Rb). The effects of the electron-phonon interaction is included to lowest order in the coupling strength lambda. It is shown that this leads to a narrowing of the Drude peak by a factor 1+lambda and a transfer of weight to a mid-infrared peak at somewhat larger energies than the phonon energy. Although this goes in the right direction, it is not sufficient to describe experiment.Comment: 5 pages, revtex, 2 figures more information at http://librix.mpi-stuttgart.mpg.de/docs/ANDERSEN/fullerene