From structure-property correlations to tailor-made chalcogenide materials (A01)

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Project A1 seeks to probe the fundamental microscopic mechanisms responsible for the properties of phase change materials, both by careful quantum-theoretical simulations and by experimentation. Recent work in our groups reveals that crystalline phase-change materials utilize a novel bonding mechanism located between metallic, covalent, and ionic bonding. To explore which materials fall into the realm of metavalent bonding, we will determine the borders of metavalent bonding with respect to ionic, metallic and covalent bonding with a combined experimental and theoretical investigation.