Designing Next-Generation High-Performance Framework Magnets: A Molecular Approach to Lightweight, Rare-Earth-Free Materials
Implementing Organization
Indian Institute Of Technology Delhi
Principal Investigator
Dr. Sandeep Kumar Gupta
Indian Institute Of Technology Delhi
gsandeep@iitd.ac.in
Project Overview
Rare-earth permanent magnets are indispensable for modern green energy technologies. However, India’s reliance on imported rare-earth magnets exposes critical supply chain vulnerabilities, especially amid recent restrictions imposed by China on export of rare-earth magnets and minerals. Further, mining and processing of rare-earths also pose significant environmental and geopolitical concerns. Addressing these urgent challenges, this project aims to develop next-generation, ultrahard, rare-earth-free magnets using a molecular approach that combines coordination chemistry, supramolecular design, and molecular magnetism. The core hypothesis is that by rationally designing highly anisotropic transition metal complexes and integrating them with redox-active conjugated or radical ligands, it is possible to achieve strong direct magnetic exchange interactions and long-range magnetic ordering with high Tc, properties traditionally limited to rare-earth-based magnets. This research explores an alternative path by leveraging the tunability of molecular building blocks to control magnetic anisotropy at the atomic level. First, this project will focus on synthesizing and characterizing a library of precursor complexes with high single-ion magnetic anisotropy. Key parameters such as g-factors and zero-field splitting will be quantified, and the magnetization dynamics will be studied in detail. Second, the nature of magnetic exchange coupling in discrete bimetallic and trimetallic model systems constructed from optimized precursors and redox-active linkers will be investigated. These insights will be then translated into assembling rare-earth-free single-chain magnets (SCMs) and two-dimensional layered ultrahard rare-earth free magnetic frameworks with enhanced performance. Fourth, robust magneto-structural correlations will be established to guide the rational design of next-generation magnetic materials and enable predictive control over key properties such as ordering temperature and coercivity. The experimental plan integrates advanced synthetic inorganic chemistry with state-of-the-art structural, spectroscopic, and magnetic characterization. Single-crystal X-ray diffraction, SQUID magnetometry, high-field EPR spectroscopy, and THz measurements will provide critical insights into structure-property relationships. Theoretical calculations will be carried out to complement experiments, enabling fine-tuning of the coordination environments and spin-exchange pathways. This project aims to deliver lightweight, rare-earth-free ultrahard multifunctional magnets with high coercivity and thermal stability, providing a viable, sustainable alternative to conventional rare-earth magnets. Beyond advancing fundamental understanding of molecular magnetism and framework assembly, the proposed work has significant translational potential. The proposed project is timely and innovative that combines rigorous synthetic design, precise structural control, and deep theoretical insight with aims to set new benchmarks for sustainable development, aligning with national goals of technological self-reliance and contributing to the quest for rare-earth free functional magnetic materials.