DMREF: Collaborative Research: Accelerated discovery of chalcogenides for enhanced functionality in magnetotransport, multiorbital superconductivity, and topological applications

非技术描述：在过去的几十年里，新型固态材料的发现、理解和应用在现代技术中发挥了至关重要的作用。然而，基于硅的设备在纳米尺寸的信息量方面遇到了瓶颈，并且仍然避免了由于加热而导致的复杂情况。该项目将开发新的范例、新的原理和新的材料类别，以设计下一代多功能设备。这些材料将从重金属过渡金属二卤化物(TMDCs)中提取，TMDCs将拓扑结构和磁性结合在一起，产生不同寻常的磁性传输特性。有可能开发拓扑场效应晶体管和热磁自旋电子器件。本项目的具体目标是合成体相和薄膜相的TMDCs，探索它们的电子性质，并与理论计算进行比较。一个严密的反馈回路，其中理论指导实验，实验告知理论，这将允许团队设计具有所需功能的材料。这些项目将通过以下方式在更广泛的范围内产生多重影响：(1)合成可分散到凝聚态社区的新材料；(2)创建和传播用于计算机辅助材料设计的建模工具、算法和软件；(3)生成基于网络的访问和传播特定材料的数据，以加强材料研究的基础设施；(4)创建一门新的在线课程，对研究生和本科生进行跨学科(材料化学、互补光谱学和多尺度理论建模)的综合培训；(V)与当地博物馆和学校合作，为公众和下一代科学家带来新量子材料的兴奋；以及(Vi)与三名女性在这个团队中担任领导职务的物理学的新面孔。技术描述：TMDCs的自旋轨道耦合和库仑关联的可比能量尺度，以及由van-der-Waals耦合的层状结构提供的化学、电场和应变的多管齐下的可调性，开启了一种全新的、丰富的参数制度，这是以前没有过的。本项目的目标是通过合成、表征和理论模拟相结合的方法来探索TMDCs，并确定预测和控制这些材料的磁输运性质的途径。项目团队由具有互补技能的PI组成。该团队在块体和薄膜形式的材料合成方面拥有专业知识，能够在真实空间和动量空间进行光谱分析，并拥有先进的理论和计算方法。结合计算单个无序实现的非均匀响应的专业知识，目标是在多参数空间中生成通用相图。通过遵循材料和计算启发的路线，通过迭代反馈循环加速发现具有所需优化功能的材料是不可避免的。该项目有望取得的一些重大突破包括：(1)发现和优化具有特殊磁输运性质的新型电子相。(2)在织构磁相的背景下发现了受拓扑保护的表面态，揭示了比拓扑带状绝缘体更丰富的现象。(3)绝缘体或多带低密度TMDDC超导电性的新范式的出现，超越了标准的费米表面不稳定性BCS理论。(4)强自旋轨道耦合系统中空间周期调制超导相的探测。(5)通过调整化学、应变和电场门控来合成和优化具有所需功能的新材料和现有材料。

NON-TECHNICAL DESCRIPTION: Over the past decades, the discovery, understanding and applications of new solid-state materials have played a crucial role in modern technology. However, devices based on silicon have hit a bottleneck in terms of the amount of information that can be packed in nano-dimensions and still avoid the complications due to heating. This project will develop new paradigms, new principles and new classes of materials to design the next generation of multifunctional devices. The materials will be drawn from the heavy transition metal dichalcogenides (TMDCs) that combine topology and magnetism together to yield unusual magneto-transport properties. There is the potential to develop topological field effect transistors and thermomagnetic spintronic devices. The specific goals of this project are to synthesize TMDCs in bulk and thin film form, to explore their electronic properties, and compare with theoretical calculations. A tight-knit feedback loop where theory guides experiments and experiments inform theory will allow the team to design materials with the desired functionality. The projects will have multiple impacts on a broader scale through (i) synthesis of new materials that can be dispersed to the condensed matter community; (ii) creation and dissemination of modeling tools, algorithms, and software for computer-aided materials design; (iii) generation of web-based access and dissemination of materials-specific data toward enhancement of infrastructure for materials research; (iv) creation of a new online course and comprehensive training of graduate and undergraduate students across the breadth of topics (chemistry of materials, complementary spectroscopies, and multi-scale theoretical modeling; (v) coordination with local museums and schools to bring the excitement of new quantum materials to the public and the next generation of scientists; and (vi) and a new face to physics with three women in leadership positions in this team.TECHNICAL DESCRIPTION: The comparable energy scales of spin-orbit coupling and Coulomb correlations and the multi-pronged tunability by chemistry, electric field and strain afforded by van-der-Waals coupled layered structures of TMDCs, opens up an entirely new and rich parameter regime not available previously. The goal of this project is to explore TMDCs through a combination of synthesis, characterization and theoretical modeling and to determine a pathway for predicting and controlling the magneto-transport properties of these materials. The project team consists of PIs with complementary skills. The team is synergistic with expertise in material synthesis in bulk and thin film form, ability to perform spectroscopy in real-and momentum space, and advanced theoretical and computational methods. Combined with expertise to calculate the inhomogeneous response for a single realization of disorder, the goal is to generate universal phase diagrams in multi-parameter space. By following both materials- and computation- inspired routes, accelerated discovery of materials with desired optimized functionalities by an iterative feedback loop is inevitable. Some of the expected major breakthroughs from this project are: (1) Discovery and optimization of novel electronic phases with unusual magneto-transport properties. (2) Discovery of topologically protected surface states in the background of textured magnetic phases, revealing phenomena richer than topological band insulators. (3) Emergence of new paradigms for superconductivity in insulators or multi-band low density TMDCs, beyond the standard BCS theory of a Fermi surface instability. (4) The detection of spatially periodically modulated superconducting phases in strongly spin-orbit coupled systems. (5) Synthesis of new and optimization of existing materials with desired functionalities by tuning chemistry, strain and electric field gating.