Materials World Network: Designed Preparation, Characterization, Magnetic Properties and Quantum Chemical Calculations of New Complex Itinerant Magnets, Ti(8-x)M(3+x)Ru(18-y)Rh(y)B

材料世界网络：新型复杂流动磁体 Ti(8-x)M(3 x)Ru(18-y)Rh(y)B 的设计制备、表征、磁性和量子化学计算

• 批准号: 0806507
• 负责人: Gordon Miller
• 金额: $ 22.8万
• 依托单位: Iowa State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-08-01 至 2012-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0806507&HistoricalAwards=false
• 关键词: Materials; World; Network; Designed; Preparation

This project combines experiment and theory towards the designed preparation and subsequent characterization and thorough understanding of new intermetallic ferromagnets and antiferromagnets. It is based on collaboration between Iowa State University and RWTH Aachen in Germany. The primary concept involves using a complex 4d metal-boride framework with magnetic 3d elements, e.g., Cr, Mn, Fe, Co and Ni, inserted in voids to create magnetic structures with potentially low-dimensional character. The metal-boride framework provides a structurally strong and electronically robust network for insertion of magnetic metals into channels. Furthermore, the metal-boride structure is intrinsically metallic, which provides a mechanism for magnetic exchange between adjacent magnetic metal atoms via the spins on the conduction electrons. Specifically, these materials are studied by X-ray and neutron diffraction as well as magnetization experiments to determine atomic and magnetic structures. Theoretical determination of the electronic structures on various models of these structures provides feedback toward further synthetic efforts of atomic substitutions to create new compounds with targeted magnetic behavior. At present, chemists and materials scientists have no general, yet simple, rules for targeting and tailoring ferromagnetic, intermetallics compounds, i.e., metallic compounds with permanent magnetic behaviour. This effort allows chemists to study an evolution of magnetic behaviour within a single structural family to identify trends in magnetic behavior as various chemical and physical parameters change in systematic ways. A project such as this, that combines experiment and theory for condensed matter systems, provides students a truly interdisciplinary problem - these students learn how different scientific subjects and models impact other scientific areas. The student participants in this project in Aachen, Germany and Ames, Iowa have opportunities for exchange, and they learn both experimental and theoretical components of research in solid-state chemistry. Furthermore, through this systematic study of a structural family, a set of rules will be generated for targeting metallic, permanent magnets, which have numerous technological applications. The real challenge will be to identify the temperature range where such targeted materials will show permanent magnetic behavior. In summary, this effort represents a strong, synergistic coupling of experiment and theory that targets new magnetic materials, and may lead to new materials with unusual bulk magnetic properties due to the potential one-dimensional character of the magnetic exchange.

该项目将实验和理论结合在一起，以进行设计的制备和随后的表征以及对新的金属间铁磁体和抗铁磁体的透彻理解。 它基于爱荷华州立大学和德国Rwth Aachen之间的合作。主要概念涉及使用带有磁性3D元件的复杂的4D金属孔框架，例如Cr，Mn，Fe，Co和Ni，插入空隙中，以创建具有潜在低维特征的磁性结构。 金属孔框架提供了一个结构强的和电子强大的网络，用于将磁力插入通道中。 此外，金属孔结构是本质上金属的，它通过传导电子上的自旋提供了一种机制，可以在相邻磁性金属之间进行磁交换。 具体而言，通过X射线和中子衍射以及磁化实验来研究这些材料，以确定原子和磁性结构。 这些结构各种模型上电子结构的理论确定为原子取代的进一步合成努力提供了反馈，以创建具有靶向磁性行为的新化合物。 目前，化学家和材料科学家还没有一般但简单的靶向和定制铁磁，金属间化合物的规则，即具有永久磁性行为的金属化合物。 这项工作使化学家能够研究单个结构家族中磁性行为的演变，以确定磁性行为的趋势，因为各种化学和物理参数在系统的方式上会发生变化。 这样的项目结合了凝结物质系统的实验和理论，为学生提供了一个真正的跨学科问题 - 这些学生学习了不同的科学学科和模型如何影响其他科学领域。 在爱荷华州亚兴，德国和埃姆斯的该项目的学生参与者有交流的机会，他们学习了固态化学研究的实验和理论成分。 此外，通过对结构家庭的系统研究，将生成一组规则，用于靶向具有许多技术应用的金属，永久磁铁。 真正的挑战将是确定该目标材料将显示永久磁性行为的温度范围。 总而言之，这项工作代表了针对新磁性材料的实验和理论的强大，协同的耦合，并且由于磁交换的潜在一维特征，可能导致具有异常散装磁性的新材料。