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Discovery of a Superconducting Cu–Bi Intermetallic Compound by High‐Pressure Synthesis
Author(s) -
Clarke Samantha M.,
Walsh James P. S.,
Amsler Maximilian,
Malliakas Christos D.,
Yu Tony,
Goedecker Stefan,
Wang Yanbin,
Wolverton Chris,
Freedman Danna E.
Publication year - 2016
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201605902
Subject(s) - intermetallic , superconductivity , ab initio , electrical resistivity and conductivity , materials science , ab initio quantum chemistry methods , density functional theory , ambient pressure , crystal structure , thermodynamics , high pressure , decomposition , physical property , crystallography , condensed matter physics , chemistry , computational chemistry , metallurgy , molecule , physics , composite material , organic chemistry , alloy , quantum mechanics
A new intermetallic compound, the first to be structurally identified in the Cu−Bi binary system, is reported. This compound is accessed by high‐pressure reaction of the elements. Its detailed characterization, physical property measurements, and ab initio calculations are described. The commensurate crystal structure of Cu 11 Bi 7 is a unique variation of the NiAs structure type. Temperature‐dependent electrical resistivity and heat capacity measurements reveal a bulk superconducting transition at T c =1.36 K. Density functional theory calculations further demonstrate that Cu 11 Bi 7 can be stabilized (relative to decomposition into the elements) at high pressure and temperature. These results highlight the ability of high‐pressure syntheses to allow for inroads into heretofore‐undiscovered intermetallic systems for which no thermodynamically stable binaries are known.