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

对具有所需性能的磁性和热电材料的研究依赖于新的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计划资助，其动机是用于制冷的磁热，用于将废热转换为电能的热电，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在多学科环境中提供培训机会。他们获得了新材料设计的见解。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。主要研究者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“科学界的年轻女性”小组和“纳米探索者”的一部分，从事材料科学项目。此外，陈组执行动手材料科学相关的演示为广大public.Technical AbstractDiscovering新的金属基化合物和链接其化学结构的磁，电，热性能的能源应用是本研究的目标，这是由固体材料化学计划在材料研究部门的支持。大单晶的生长对于明确确定材料的固有性质是必要的。凭借该奖项，主要研究人员研究了几类含有镧系元素，中过渡金属和第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。这些努力的重点是生长高质量的Tb 117 Fe 52 Ge 112（Ln = Gd，Dy）和Ln 30 Ru 4Sn 31结构类型的单晶，这使得研究结构复杂性，复杂磁性和低晶格热导率成为可能。除了研究锡化物和锗化物的结构相稳定性外，原子位移参数与电阻率相关，作为预测材料电性能的测试平台。受Pr_2Fe_4Sb_5中自旋玻璃和巡游磁性的出现的启发，本文还研究了Ln_2Fe_4-xM_xSb_5（Ln = La，Ce，Pr，Sm; M = Mn，Co，Zn）的磁、电性质。这种结构类型的化合物是特别感兴趣的，因为Fe-三角形亚基与Sb-正方形网络耦合，这两个特征在几个高度相关的系统中发现。参与拟议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。主要研究者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.