2016/09/29 by Maximilian Amsler, Amsler, Maximilian, S. Shahab Naghavi +3
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #High-pressure geophysics and materials #Iron-based superconductors research #Materials Science (cond-mat.mtrl-sci) #Rare-earth and actinide compounds #Superconductivity (cond-mat.supr-con) #cond-mat.mtrl-sci #cond-mat.supr-con #physics.chem-ph #physics.comp-ph
paper · pdf · doi:10.48550/arxiv.1609.09536
9 pages, 9 figures
arxiv created 2016/09/29 · openalex publication_date 2016/09/29 · arxiv updated 2016/10/03 · openalex created_date 2022/10/04 · openalex updated_date 2026/07/28
The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur-hydrogen and other hydrogen-rich systems. Commonly, the initial precursor in a high pressure experiment contains constituent elements that are known to form compounds at ambient conditions, however the discovery of high-pressure phases in systems immiscible under ambient conditions poses an additional materials design challenge. We performed an extensive multi component ab initio structural search in the immiscible Fe--Bi system at high pressure and report on the surprising discovery of two stable compounds at pressures above ≈36 GPa, FeBi2 and FeBi3. According to our predictions, FeBi2 is a metal at the border of magnetism with a conventional electron-phonon mediated superconducting transition temperature of T\rm c=1.3 K at 40 GPa. In analogy to other iron-based materials, FeBi2 is possibly a non-conventional superconductor with a real T\rm c significantly exceeding the values obtained within Bardeen-Cooper-Schrieffer (BCS) theory.