Martin Luther University Halle-Wittenberg

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Electronic structure

Within this research field we focus on the calculation of ground state and excited state properties (such as magnetization or photo emission spectra) of oxidic systems with complex and even disordered real structures. Beside transition metal oxides these are also layered oxidic systems.

These investigations are performed on an ab initio level within the framework of density functional theory. The main challenge is an exact and efficient treatment of the strong correlations between the electrons in the oxides.