CNRS, ICGM, Université de Montpellier
“Different aspects of electron-electron interaction effects in transition metal oxides”
In this presentation, we discuss different consequences of the electron-electron interaction in transition metal oxides. First, we show that the amplitude of electron-electron interactions governs the type of redox mechanisms in positive electrode materials for Li-ion batteries. Therefore, various strategies can be implemented to design more efficient materials for electrochemical energy storage. Secondly, we study the competition between the electron-electron interaction, the spin-orbit coupling and the crystal field splitting in Ruthenium Perovskite and Iridium layered oxide. Finally we discuss algorithmic strategies to account precisely for the electron-electron interaction either in the short term via divide-conquer approaches, or in the long term by the development of quantum algorithms.