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

A1项目试图通过仔细的量子理论模拟和实验来探索导致相变材料特性的基本微观机制。我们团队最近的工作表明，晶态相变材料利用了一种位于金属键、共价键和离子键之间的新的成键机制。为了探索哪些材料属于亚价键，我们将通过实验和理论相结合的研究来确定亚价键相对于离子、金属和共价键的边界。

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.