Vibrational Spectroscopy of Organic Multi-ferroics Using Inelastic Neutron Scattering Spectroscopy

Organic multiferroics are important functional materials because of their potential applications as a material to address global challenges. These materials have potential applications in energy storage and in data storage in computers. In these types of materials ferroelectricity can be tuned with applied magnetic fields. Since flexibility and multi-ferroicity rare combinations, organic multi-ferroics are candidates of intense research promising of designing new materials fit for the purpose. The dynamics of protons are considered as the key mechanisms of the functionality of these materials. In this proposal I propose to investigate temperature dependent INS spectroscopy of an organic multiferroic material, TTF-BA, to understand the effect of dynamics in multiferroicic properties. These experiments are complemented with QENS experiments and DFT based lattice dynamics simulations.

有机多铁性材料（organic multiferroics）是重要的功能材料，因其作为应对全球挑战的材料具有潜在应用价值。这类材料在储能以及计算机数据存储领域具有潜在应用。在这类材料中，铁电性可通过外加磁场进行调控。由于柔性与多铁性的组合较为罕见，有机多铁性材料成为重点研究对象，有望设计出符合目标的新型材料。质子动力学被认为是这类材料功能的关键机制。在本研究方案中，我拟对有机多铁性材料TTF-BA开展温度依赖性中子非弹性散射光谱（INS spectroscopy）研究，以理解动力学对多铁性的影响。这些实验将辅以准弹性中子散射实验（QENS experiments）及基于密度泛函理论（DFT）的晶格动力学模拟。