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

金属硫化物矿物是一类重要的地球材料，它显示出一种迷人的结合相互作用和结构类型，并具有许多重要的电子和磁性能。此外，硫化物是重要的地质物质，为许多稀有元素提供了储集层，并被证明对了解全球构造是有用的。然而，我们对硫化物晶体化学及其性质的认识还很欠缺，特别是与氧化土材料的对比。在这个项目中，来自弗吉尼亚理工大学和亚利桑那大学的合作团队将确定各种金属硫化物的理论和实验电子密度分布的拓扑特性。从这个项目中获得的信息不仅有助于指导研究重要硫化物相的高科技特性，而且还将作为地球材料在地幔中遇到的高温高压下的电子传输模型。对硫化物中键的相互作用和键结构的认识将为建立硫化物晶体化学的基本规律奠定基础。

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.