Crystal structure, phase diagram, electronic, magnetic and superconducting properties of AFe2-xMxAs2 -a joint experimental and theoretical study

点击翻译按钮获取中文摘要

This project connects experimental investigations and theoretical studies of the recently discovered iron pnictide superconductors joining approaches from solid state chemistry and solid state physics. The suggested study focuses on the AFe2-x MxAs2 (A= Ca, Sr, Ba, Eu; M= Mn, Co, Ni, Ru, Rh, Ir) family of compounds and will investigate the relation between crystal structure, chemical substitution, doping, internal as well as external pressure and the respective electronic, magnetic and superconducting properties. High quality single crystalline samples will be synthesized and carefully characterized by various techniques. In addition to own thermodynamic and transport measurements, these single crystals will be used by other participants of the SPP for a multitude of spectroscopic measurements (optics, NMR, μSR, Mößbauer, dHvA). Ab initio electronic structure calculations will accompany the experimental studies in all stages to obtain a microscopically based understanding of the physical properties and guide the modification of new compounds. Based on realistic structural models, the band structure results will provide accurate input (relevant orbitals and couplings, DOS, Fermi surfaces) for further modelling on different levels of approximation. From the comparison of the band structure results with the experimental data we expect fundamental insights in the structure property relations of these new high temperature superconductors.