Collaborative Proposal: A Study of Experimental and Theoretical Electron Density Distribution and Bonded Interactions for Sulfide Minerals

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Metal sulfide minerals are an important class of earth materials that display a fascinating assortment of bonded interactions and structure types in concert with a host of important electronic and magnetic properties. In addition sulfides are important geological materials, providing the reservoir for many rare elements and proving to be useful in understanding global tectonics. However, our understanding of sulfide crystal chemistry and their properties is wanting, especially when contrasted with that of oxide earth materials. In this project a collaborative team from Virginia Tech and the University of Arizona will determine the topological properties of theoretical and experimental electron density distributions for a variety of metal sulfides. The information derived from this project will not only help direct research into the high tech properties of important sulfide phases, but will also serve as models for electron transport in earth materials at the high temperatures and pressures encountered in the Earth's mantle. The knowledge gained about the bonded interactions and bonded architecture in sulfides will lay the foundation for establishing fundamental laws of sulfide crystal chemistry.