Titlebook: Electronic Structure of Rare-Earth Nickelates from First-Principles; Harrison LaBollita Book 2024 The Editor(s) (if applicable) and The Au

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Ab-initio Approaches to Correlated Materials,eory (DFT) (with an emphasis on all-electron, full potential codes) and beyond DFT methods including DFT+. and DFT + dynamical mean-field theory (DMFT). Finally, we discuss the implementation of DFT+DMFT in a popular DFT code, WIEN2k interfaced with a many-body physics library, TRIQS.

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Many-Body Trends of Reduced Ruddlesden-Popper Nickelates,ickelates is highly tunable as the dimensionality changes from quasi-two-dimensional to three-dimensional as .. Specifically, we identify the tunable electronic features to be: the charge-transfer energy, presence of . states around the Fermi level, and the strength of electronic correlations. This chapter is based on results published in ..

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Metastasen und Rezidive im Knochenrvoir. These findings indicate that all compounds in the layered nickelate family as a whole should behave electronically similar when compared at the same carrier concentrations. This chapter is based on results published in . and ..

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Comparing Layered Nickelate Superconductors Within DFT+DMFT,rvoir. These findings indicate that all compounds in the layered nickelate family as a whole should behave electronically similar when compared at the same carrier concentrations. This chapter is based on results published in . and ..

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Victor I. Mikla,Victor I. Miklaed trilayer . and infinite-layer nickelates (.). From our calculations, we find that the cuprate-like character of layered nickelates increases from the . to the . members as the charge transfer energy and the self-doping effect due to . bands around the Fermi level gradually decrease. This chapter is based on results published in ., ., and ..

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DFT Trends in the Electronic Structure and Magnetic Properties of Reduced Ruddlesden-Popper Nickelaed trilayer . and infinite-layer nickelates (.). From our calculations, we find that the cuprate-like character of layered nickelates increases from the . to the . members as the charge transfer energy and the self-doping effect due to . bands around the Fermi level gradually decrease. This chapter is based on results published in ., ., and ..

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Book 2024sis reports some of the few examples of predictions of new superconductors that have later been realized in practice, a prime example of the significance of the methodology it expounds. Overall, it represents a seminal systematic work in the electronic structure theory of the emergent field of nickelate superconductivity..

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