Project information
Novel Functionalities in Oxide Perovskites

Coulomb interaction between electrons in solids causes the behavior of individual electrons to be correlated with one another. Sufficiently strong correlations give rise to a complicated behavior such as magnetic ordering or superconductivity, which is notoriously difficult to describe theoretically. Transition metal oxides with perovskite structure have been a platform for investigation and application of electronic correlations for decades. In this project we propose to study a new class of materials, so called active A-site perovskites, which host a number of novel phenomena. To this end we will use and further develop the dynamical mean-field theory, which allows computationally expensive but still feasible treatment of the key correlation effects. Our aim is to numerically simulate the interplay between lattice distortions, transport and magnetic properties. This will allow us to understand the complex phase diagrams of these materials and their dependence on external parameters such as temperature, pressure or magnetic field. We will explain the existing experiments and possibly stimulate new ones.