Interplay of structure, magnetism and superconductivity in 122 pnictides: Crystal growth, thermodynamics, and first-principle calculations

122 种磷族元素中结构、磁性和超导性的相互作用：晶体生长、热力学和第一原理计算

• 批准号: 168323462
• 负责人: Dr. Christoph Meingast
• 金额: --
• 依托单位: Institut für Festkörperphysik (IFP)
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2010
• 资助国家: 德国
• 起止时间: 2009-12-31 至 2012-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/168323462?language=en
• 关键词: Interplay; structure; magnetism; superconductivity; 122

By combining crystal growth, structural analysis, thermodynamic measurements and density functional theory, we expect to obtain important information on the interplay of structure, magnetism, and superconductivity in the novel iron pnictide compounds. We will focus on systems where the complete phase diagram can be explored by doping and hydrostatic pressure, e.g., Ba(Fe,Co)2As2. Additionally, spectroscopies such as near-edge X-ray absorption and inelastic neutron scattering are at our disposal. To measure truly intrinsic properties, the availability of well characterized high-quality single crystals is mandatory. Therefore, a considerable effort will be put into optimizing the crystal growth process. Experiments will be complemented by first-principles calculations of structural, electronic, dynamical and thermodynamical properties, to foster an interpretation of the data from a microscopic point of view.

通过结合晶体生长，结构分析，热力学测量和密度泛函理论，我们期望获得的结构，磁性和超导性的相互作用的重要信息，在新的铁磷属化合物。我们将重点关注可以通过掺杂和静水压力探索完整相图的系统，例如，Ba（Fe，Co）2As2。此外，光谱，如近边X射线吸收和非弹性中子散射是在我们的处置。为了测量真正的固有特性，必须提供具有良好特性的高质量单晶。因此，将投入相当大的努力来优化晶体生长过程。实验将通过结构，电子，动力学和化学性质的第一原理计算来补充，以促进从微观角度对数据的解释。