ﻻ يوجد ملخص باللغة العربية
The treatment of intershell interactions remains a major challenge in the theoretical description of strongly correlated materials. Most previous approaches considered the influence of intershell interactions at best in a static fashion, neglecting dynamic effects. In this work, we propose a slave-rotor method that goes beyond this approximation by incorporating the effect of intershell interactions in a dynamic manner. Our method is derived and implemented as a quantum impurity solver in the context of dynamical mean field theory and benchmarked on a two-orbital model system. The results from our slave-rotor technique are found to be in good agreement with our reference calculations that include intershell interactions explicitly. We identify and analyze qualitative features emerging from the dynamic treatment. Our results thus provide qualitatively new insights, revealing the ambivalent effect of intershell interactions in strongly correlated materials.
We review a representation of Hubbard-like models that is based on auxiliary pseudospin variables. These pseudospins refer to the local charge modulo two in the original model and display a local Z_2 gauge freedom. We discuss the associated mean-fiel
We investigate the influence of a Markovian environment on the dynamics of interacting spinful fermionic atoms in a lattice. In order to explore the physical phenomena occurring at short times, we develop a method based on a slave-spin representation
We implemented the derivative of the free energy functional with respect to the atom displacements, so called force, within the combination of Density Functional Theory and the Embedded Dynamical Mean Field Theory. We show that in combination with th
Materials with correlated electrons often respond very strongly to external or internal influences, leading to instabilities and states of matter with broken symmetry. This behavior can be studied theoretically either by evaluating the linear respons
In this work, we report the pressure dependence of the effective Coulomb interaction parameters (Hubbard U) in paramagnetic NiO within the constrained random phase approximation (cRPA). We consider five different low energy models starting from the m