The importance of inter-site coherences in the X-ray absorption spectra of mixed-valent systems
The importance of inter-site coherences in the X-ray absorption spectra of mixed-valent systems
We study the importance of inter-site coherences and quantum interference effects in the X-ray absorption spectroscopy (XAS) of mixed-valent systems. We demonstrate its importance, first for a simple diatomic mixed-valent molecule to elucidate the physics involved, and finally for mixed-valent Ti oxides, using a model calculation including full spin and …