Prof. Dr. Roser Valentí
Microscopic modelling of correlated materials
Unconventional superconductivity with high critical temperatures, frustrated magnetism and spin liquid behavior are a few examples of exotic phases in correlated materials. In correlated systems electrons experience a strong Coulomb repulsion and one of the big challenges in solid state physics is the microscopic description of their resulting phases. Moreover, being able to understand how the properties of these materials emerge opens the possibility of designing compounds with desirable properties.
Our research is based on the implementation and application of suitable analytic and computational algorithms in order to provide a first principles microscopic understanding of the electronic and magnetic properties of correlated materials. A central focus of our work is the description of correlated phases under the influence of further interactions like spin-orbit coupling and external parameters such as pressure, chemical doping and magnetic field.
In order to perform these investigations we combine first principles based Density Functional Theory (DFT) calculations with many-body computational methods such as Dynamical Mean Field Theory (DMFT), exact diagonalization, perturbation theory, Quantum Monte Carlo and Variational Monte Carlo.
Publications on arXiv.