11 papers
Metallizing the Mott insulator TiOCl by electron doping: a view from LDA+DMFT
L. Craco, M. S. Laad, E. Müller-Hartmann
Based on recent experiments, we describe the Mott insulating, but undimerized state of using the local-density approximation combined with multi-orbital dynamical mean fiel…
Insulator-Metal Transition in the Rutile-based VO2
M. S. Laad, L. Craco, E. Müller-Hartmann
The metal-insulator transition (MIT) in paramagnetic VO2 is studied within LDA+DMFT(IPT), which merges the local density approximation (LDA) with dynamical mean field theory (DMFT)…
Towards a Fully Ab-Initio Description of the Diluted Magnetic Semiconductor . Ferromagnetism, Electronic Structure, and Optical Response
L. Craco, M. S. Laad, E. Müller-Hartmann
There are two competing views of itinerant ferromagnetism, the first viewing ferromagnetism as resulting from the indirect coupling between local moments via the itinerant carrier…
Orbital Kondo Effect in : A LSDA+DMFT Study
L. Craco, M. S. Laad, E. Müller-Hartmann
Motivated by a collection of experimental results indicating the strongly correlated nature of the ferromagnetic metallic state of , we present results based on a combinat…
On the Normal State Electronic properties of Layered Sr_2 RuO_4
M. S. Laad, E. Müller-Hartmann
Based on a comprehensive perusal of experimental results, we construct a microscopic model describing the normal state of layered 4d oxide Sr_2 RuO_4 incorporating relevant quantum…
Dynamical correlations in half-metallic manganites
L. Craco, M. S. Laad, E. Müller-Hartmann
Motivated by the recent optical and photoemission measurements on half-metallic ferromagnetic three-dimensional manganites, we combine a tight-binding fit of the one-particle bands…