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

寻找具有理想性能的磁性和热电材料依赖于新金属基化合物的发现，并且还要求材料可以生长为高质量的单晶。该项目的研究策略由材料研究部的固态和材料化学项目资助，其动机是用于制冷的磁热学，将废热转化为电能的热电学，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多学科环境下的培训机会。他们对新材料的设计有了深入的了解。研究小组和科学界之间的伙伴关系促进了科学学习的持续加强。作为“科学青年女性”小组和“纳米探索者”小组的一部分，主要研究者小组还与一个由学生和工业伙伴组成的高中小组合作，从事材料科学项目。此外，Chan小组还为公众进行与材料科学相关的实践演示。技术摘要：本研究的目标是发现新的金属基化合物，并将其化学结构与磁性、电学和热学性质联系起来，用于能源应用。该研究得到了材料研究部固态和材料化学项目的支持。大单晶的生长对于明确确定材料的固有特性是必要的。有了这个奖项，首席研究员研究了几种含有镧系元素、中间过渡金属和14-15族元素的材料。这项工作的动机是将结构细节联系起来，以预测物理性质。重点是培养Tb117Fe52Ge112 （Ln = Gd, Dy）和Ln30Ru4Sn31结构类型的高质量单晶，从而研究结构复杂性、复杂磁性和低晶格导热性。除了研究锡化物和锗化物的结构相稳定性外，原子位移参数还与电阻率相关，作为预测材料电性能的试验台。受Pr2Fe4Sb5中自旋玻璃和流动磁性的启发，研究了Ln2Fe4-xMxSb5 （Ln = La, Ce, Pr, Sm; M = Mn, Co, Zn）的磁性和电学性能。这种结构类型的化合物特别令人感兴趣，因为铁三角形亚基与sb方形网耦合，这是在几个高度相关的体系中发现的两个特征。参与该项目的学生也将有机会与其他机构和国家实验室的合作者一起工作。首席研究员的整个研究小组都参与指导不同层次的学生，包括整个学年的本科生和夏季的高中生。

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.