Crystallographic Gems to Link Materials' Properties: Stannides, Germanides, and Antimonides

非技术摘要寻找具有所需性能的磁性和热电材料依赖于新的金属基化合物的发现，同时也要求这些材料能够生长成高质量的单晶。该项目的研究战略由材料研究部的固态和材料化学计划资助，其动机是用于制冷的磁热材料、用于将废热转化为电能的热电材料以及用于下一代量子计算的磁性材料。该项目为本科生和研究生提供了多学科环境下的培训机会。他们对新材料的设计有深入的了解。研究小组和科学界之间的伙伴关系促进了科学学习的不断加强。首席调查员小组还与一个由学生和工业合作伙伴组成的高中团队合作，作为“科学中的年轻女性”小组和“纳米探索者”小组的一部分，从事材料科学项目。此外，Chan小组还为普通公众进行与材料科学相关的动手演示。技术摘要发现新的金属化合物并将其化学结构与用于能源应用的磁性、电性和热学性质联系起来是这项研究的目标，该研究得到材料研究部固态和材料化学计划的支持。大单晶的生长对于明确地确定材料的固有性质是必要的。凭借这一奖项，首席研究员研究了几类含有镧系元素、中间过渡金属和14-15族元素的材料。这一努力的动机是将结构细节关联起来，以预测物理性质。这些工作集中在生长Tb117Fe52Ge112(Ln=Gd，Dy)和Ln30Ru4Sn31结构类型的高质量单晶，这使得对结构复杂性、复磁性和低晶格热导率的研究成为可能。除了研究锡化物和锗化合物的结构相稳定性外，原子位移参数还与电阻率相关联，作为预测材料电学性质的试验台。受Pr2Fe4Sb5自旋玻璃和巡游磁性的启发，研究了Ln2Fe4-xMxSb5(Ln=La，Ce，Pr，Sm；M=Mn，Co，Zn)的磁电性质。这种结构类型的化合物特别令人感兴趣，因为铁三角亚基与锑方网相连，这是在几个高度相关的系统中发现的两个特征。参与拟议项目的学生还将有机会与其他机构和国家实验室的合作者合作。首席调查员的整个研究小组参与指导不同层次的学生，包括整个学年的本科生和暑期的高中生。

Non-Technical AbstractThe search for magnetic and thermoelectric materials with desired properties relies on the discovery of new metal-based compounds, and also requires that the materials can be grown as high quality single crystals. The research strategy of this project, funded by the Solid State and Materials Chemistry program in the Division of Materials Research, is motivated by magnetocalorics for refrigeration, thermoelectrics for converting wasted heat to electricity, and magnetic materials for next generation quantum computing. This project provides training opportunities for undergraduate and graduate students in a multidisciplinary environment. They gain insights into the design of novel materials. The partnership between the research group and the scientific community fosters continued enhancement in science learning. The principle investigator's group also works with a high school team of students and industrial partners as part of the "Young Women in Science" group and "Nanoexplorers", pursuing materials science projects. Additionally, the Chan group performs hands-on materials science-related demonstrations for the general public.Technical AbstractDiscovering new metal-based compounds and linking their chemical structures to magnetic, electrical, and thermal properties for energy applications is the goal of this research, which is supported by the Solid State and Materials Chemistry program in the Division of Materials Research. The growth of large single crystals is necessary to unequivocally determine the material's innate properties. With this award, the principle investigator studies several classes of materials containing lanthanide, mid-transition metals, and Group 14-15 elements. The motivation for this effort is to correlate the structural details to predict physical properties. The efforts focus on growing high quality single crystals of the Tb117Fe52Ge112 (Ln = Gd, Dy) and Ln30Ru4Sn31 structure types, which allows the study of structural complexity, complex magnetism, and low lattice thermal conductivity. In addition to studying structural phase stability of stannides and germanides, atomic displacement parameters are correlated with electrical resistivity as a testbed for predicting electrical properties of materials. Inspired by the emergence of spin glass and itinerant magnetism in Pr2Fe4Sb5, the magnetic and electrical properties of Ln2Fe4-xMxSb5 (Ln = La, Ce, Pr, Sm; M = Mn, Co, Zn) are also investigated. Compounds of this structure type are of particular interest because of the Fe-triangular subunits coupled with Sb-square nets, two features found in several highly correlated systems. Students involved in the proposed project will also have the opportunity to work with collaborators at other institutions and national laboratories. The principle investigator's entire research group is involved in mentoring students at different levels, including undergraduates throughout the academic year and high school students in the summer.