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 Tc = 1.3 K at 40 GPa.
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机译：高压实验中材料的合成最近引起了越来越多的关注，特别是在发现硫 - 氢和其它富含氢系统中的记录断开超导温度的发现。通常，高压实验中的初始前体含有已知在环境条件下形成化合物的构成元素，但是在环境条件下对系统中不加混的高压阶段的发现造成额外的材料设计挑战。在高压下，在不混溶的FE-BI系统中进行了广泛的多分量 AB Initio 结构搜索，并在Febi 2 和febi 3 。根据我们的预测，FEBI <小> <亚> 2 是磁边的金属，具有传统的电子 - 声子介导的 t <小的超导转变温度> 40 GPA的 c = 1.3k。
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