NSF-Europe Materials Collaboration: Rational Design and Quantum Chemistry of Complex Itinerant Intermetallic Magnets

NSF-欧洲材料合作：复杂流动金属间磁体的合理设计和量子化学

• 批准号: 0502671
• 负责人: Gordon Miller
• 金额: $ 14.2万
• 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: 2005
• 资助国家: 美国
• 起止时间: 2005-09-01 至 2007-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0502671&HistoricalAwards=false
• 关键词: NSF; Europe; Materials; Collaboration; Rational

This award by the Solid State Chemistry program in the Division of Materials Research to Iowa State University combines experimental and theoretical studies towards the designed preparation and subsequent characterization of new intermetallic ferromagnets and antiferromagnets. This proposal, received in response to the Materials World Network announcement NSF 04-599, involves the use of a complex metal boride framework with magnetic 3d elements, e.g., Cr, Mn, Fe, Co and Ni, inserted in voids that create magnetic structures with low-dimensional character. The new intermetallic series M9M'2T18-xT'xB8 (M and T represent metal elements; M' specifically indicates a magnetic metal element) will serve as a chemical system in which the number of valence electrons can be tuned to induce desired magnetic properties. This collaborative effort between solid-state chemistry groups at Iowa State University Chemistry Department and the Institute for Inorganic Chemistry at RWTH Aachen 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. The Aachen group will extend its present synthetic experience using classical high temperature synthetic routes to synthesize several compounds in this new series, characterize them using diffraction methods and diffraction analyses and measure their magnetic properties. The Iowa State group will use electronic structure packages and chemical bonding analysis to understand the electronic and magnetic behavior of these complex phases and predict new synthetic targets for the Aachen group. In addition, the ISU group will carry out temperature-dependent, single crystal studies to explore details in structural changes with magnetic behavior. Both groups will clarify the spin structures of the new compounds by experimental (neutron diffraction) and theoretical (spin-polarized super-cell calculations) efforts. This international collaborative project will combine experiment and theory for condensed matter systems, and provides student and post-doctoral associates with a truly interdisciplinary problem. These students will clearly learn how different scientific subjects and models impact other research areas. In addition, student and/or post-doctoral participating in this project in Aachen, Germany and Ames, Iowa will have opportunities for international exchange, and they will have opportunities to learn both experimental and theoretical components of research in solid-state chemistry.

固态化学计划在爱荷华州立大学的材料研究部颁发的该奖项结合了实验和理论研究，以设计新的金属间铁磁铁和抗fiferromagnets的设计制备和随后的表征。该提案是针对材料世界网络公告NSF 04-599收到的，涉及使用具有磁性3D元素的复杂金属硼化物框架，例如Cr，Mn，Mn，Fe，Fe，Co和Ni，并插入具有低维特性的磁性结构的空隙中。新的金属间串联M9M'2T18-XT'xB8（M和T表示金属元素； M'特别指示磁性金属元件）将用作化学系统，其中可以调节价电子的数量以诱导所需的磁性特性。爱荷华州立大学化学系的固态化学组与RWTH AACHEN的无机化学研究所之间的合作努力代表了实验和理论的强烈，协同的耦合，它针对新的磁性材料，并可能导致具有不寻常的体积磁性的新材料，这是由于潜在的一维磁性交换而引起的。 Aachen组将使用经典的高温合成途径扩展其当前的合成体验，以合成该新系列中的几种化合物，并使用衍射方法和衍射分析来表征它们并测量其磁性。爱荷华州组将使用电子结构包和化学键合分析来了解这些复杂阶段的电子和磁性行为，并预测亚兴组的新合成目标。此外，ISU组将进行依赖温度的单晶研究，以探索与磁性行为的结构变化中的细节。 两组将通过实验（中子衍射）和理论（自旋极化的超细胞计算）的工作来阐明新化合物的自旋结构。这个国际协作项目将结合凝结物质系统的实验和理论，并为学生和博士后同事提供真正的跨学科问题。 这些学生将清楚地了解不同的科学学科和模型如何影响其他研究领域。此外，在亚洲，德国和埃姆斯参加该项目的学生和/或博士后，爱荷华州将有国际交流的机会，他们将有机会学习固态化学研究的实验和理论成分。