arXiv subjects

J. P. Julien

Publications and source records attributed to J. P. Julien.

2 recordsLinked to original sources

arXiv2008

Electronic transport in AlMn(Si) and AlCuFe quasicrystals: Break-down of the semiclassical model

The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semi-conductors. Physical systems that are beyond the range of applicability of this theory are thus of fundamental interest. It appears that in quasicrystals and related complex metallic alloys, a new type of break-down of this theory operates. This phenomenon is related to the specific propagation of electrons. We develop a theory of quantum transport that applies to a normal ballistic law but also to these specific diffusion laws. As we show phenomenological models based on this theory describe correctly the anomalous conductivity in quasicrystals. Ab-initio calculations performed on approximants confirm also the validity of this anomalous quantum diffusion scheme. This provides us with an ab-initio model of transport in approximants such as alpha-AlMnSi and AlCuFe 1/1 cubic approximant.

cond-mat.mtrl-sci↗

arXiv2005

Ab-initio Gutzwiller method: first application to Plutonium

Except for small molecules, it is impossible to solve many electrons systems without imposing severe approximations. If the configuration interaction approaches (CI) or Coupled Clusters techniques \cite{FuldeBook} are applicable for molecules, their generalization for solids is difficult. For materials with a kinetic energy greater than the Coulomb interaction, calculations based on the density functional theory (DFT), associated with the local density approximation (LDA) \cite{Hohenberg64, Kohn65} give satisfying qualitative and quantitative results to describe ground state properties. These solids have weakly correlated electrons presenting extended states, like $sp$ materials or covalent solids. The application of this approximation to systems where the wave functions are more localized ($d$ or $f$-states) as transition metals oxides, heavy fermions, rare earths or actinides is more questionable and can even lead to unphysical results : for example, insulating FeO and CoO are predicted to be metalic by the DFT-LDA...

cond-mat.str-el↗