Christoph Piefke

Approaching finite-temperature phase diagrams of strongly correlated materials: A case study for V2O3

Examining phase stabilities and phase equilibria in strongly correlated materials asks for a next level in the many-body extensions to the local-density approximation (LDA) beyond mainly spectroscopic assessments. Here we put the charge-self-consistent LDA+dynamical mean-field theory (DMFT) methodology based on projected local orbitals for the LDA+DMFT interface and a tailored pseudopotential framework into action in order to address such thermodynamics of realistic strongly correlated systems. Namely a case study for the electronic phase diagram of the well-known prototype Mott-phenomena system V

Electron correlation and magnetism at the La Al O 3 / Sr Ti O 3 interface: A DFT+DMFT investigation

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Low-energy model and electron-hole doping asymmetry of single-layer Ruddlesden-Popper iridates

O

Multiorbital physics in Fermi liquids prone to magnetic order

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LDA + slave-boson approach to the correlated electronic structure of the metamagnetic bilayer ruthenate Sr3Ru2O7†

at higher temperatures is presented. We are able to describe the first-order metal-to-insulator transitions with negative pressure and temperature from the self-consistent computation of the correlated total energy in line with experimental findings.

Impact of the Dzyaloshinskii-Moriya interaction in strongly correlated itinerant systems

We shed light on the interplay between structure and many-body effects relevant for itinerant ferromagnetism in

Considerable nonlocal electronic correlations in strongly doped NaxCoO2

\mathrm{La}\mathrm{Al}{\mathrm{O}}_{3}

Rigorous symmetry adaptation of multiorbital rotationally invariant slave-boson theory with application to Hund's rules physics

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Rigorous multi-orbital implementation of rotational-invariant slave-boson theory and its application to Hund's physics

\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}

Strong electronic correlations and spin-orbit coupling in layered ruthenates

heterostructures. The realistic correlated electronic structure is studied by means of the (spin-polarized) charge self-consistent combination of density-functional theory with dynamical mean-field theory beyond the realm of static correlation effects. Though many-body behavior is also active in the defect-free interface, a ferromagnetic instability occurs only with oxygen vacancies. A minimal Ti two-orbital