Dense superconducting phases of copper-bismuth at high pressure

Amsler, Maximilian; Wolverton, Chris

doi:10.1103/physrevmaterials.1.031801

Dense superconducting phases of copper-bismuth at high pressure

Journal Article · Mon Aug 28 00:00:00 EDT 2017 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.1.031801· OSTI ID:1536571

Amsler, Maximilian ^[1]; Wolverton, Chris ^[2]

Northwestern University, Evanston, IL (United States); DOE/OSTI
Northwestern University, Evanston, IL (United States)

Although copper and bismuth do not form any compounds at ambient conditions, two intermetallics, CuBi and Cu₁₁Bi₇, were recently synthesized at high pressures. Here we report on the discovery of additional copper-bismuth phases at elevated pressures with high densities from ab initio calculations. In particular, a Cu2Bi compound is found to be thermodynamically stable at pressures above 59 GPa, crystallizing in the cubic Laves structure. In strong contrast to Cu₁₁Bi₇ and CuBi, cubic Cu₂Bi does not exhibit any voids or channels. Since the bismuth lone pairs in cubic Cu₂Bi are stereochemically inactive, the constituent elements can be closely packed and a high density of 10.52 g/cm³ at 0 GPa is achieved. The moderate electron-phonon coupling of λ = 0.68 leads to a superconducting temperature of 2 K, which exceeds the values observed both in Cu₁₁Bi₇ and CuBi, as well as in elemental Cu and Bi.

View Accepted Manuscript (DOE)

Research Organization:: Northwestern University, Evanston, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF); Swiss National Science Foundation; USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; FG02-07ER46433

OSTI ID:: 1536571

Alternate ID(s):: OSTI ID: 1377106

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 3 Vol. 1; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Dense superconducting phases of copper-bismuth at high pressure

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