The Atomistic Structure of Silicon Clusters and Crystals: From the Finite to the Infinite
One of the most fundamental problems of materials science is to describe the microscopic structure of condensed matter. For crystalline matter, this problem can be viewed as “solved in principle”, as one can now accurately determine the structure of simple crystals. For example, the structure of virtually all elemental solids can now be determined from first principles1. However, for large clusters of atoms without periodic symmetry, few good methods, either experimental or theoretical, exist for describing the structure of such systems.
KeywordsLarge Cluster Lower Energy Structure Diamond Structure Silicon Cluster Quantum Mechanical Effect
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