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Issue 3, 2017
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Prediction of superconducting iron–bismuth intermetallic compounds at high pressure

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Abstract

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.

Graphical abstract: Prediction of superconducting iron–bismuth intermetallic compounds at high pressure

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Publication details

The article was received on 19 Oct 2016, accepted on 01 Dec 2016 and first published on 07 Dec 2016


Article type: Edge Article
DOI: 10.1039/C6SC04683E
Citation: Chem. Sci., 2017,8, 2226-2234
  • Open access: Creative Commons BY-NC license
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    Prediction of superconducting iron–bismuth intermetallic compounds at high pressure

    M. Amsler, S. S. Naghavi and C. Wolverton, Chem. Sci., 2017, 8, 2226
    DOI: 10.1039/C6SC04683E

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