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Comparison of Two Different Synthesis Methods of Single Crystals of Superconducting Uranium Ditelluride
Published on: July 8, 2021
Pressure-stabilized superconducting phases with nontrivial band topology in the Sr-Sb system
Míngyuan Hu1, Yuanjun Jin2, Anze Shui1
1School of Materials Science and Engineering, South China University of Technology, Guangzhou 510641, People's Republic of China.
Abstract:
Strontium antimonides are potential candidates for topology and superconducting applications. However, only a small number of binary Sr-Sb compounds have been discovered. Here, we have systematically explored the binary phase diagrams of the Sr-Sb system under pressures ranging from 0 to 40 GPa using evolutionary algorithms and density functional theory. Six new stable candidates, includingImmm-Sr7Sb3,C2/m-Sr7Sb3,P63/mmc-Sr2Sb,C2/m-Sr3Sb2,Pm-SrSb, andCmcm-SrSb2, are found to be both energetically preferable and lattice dynamically stable. By studying their electronic band structures, these newly predicted compounds are all determined to be metallic without band gaps. Further investigations on electron localization and charge transfer have attributed the stability of these materials to the enhanced ionic bonding between Sr-Sb and the formation of the framework structure under pressure. Furthermore, node rings are observed inP63/mmc-Sr2Sb andC2/m-Sr3Sb2near the Fermi levels, indicating they are topologically non-trivial. Among them,P63/mmc-Sr2Sb exhibits a pressure-induced superconductivity with a critical temperature of up to 4.16 K below 40 GPa, showing its potential as a superconductor. This work significantly expands the phase diagram of the Sr-Sb binary system under high pressure, providing theoretical foundations for developing novel superconductors and topological materials in binary systems.
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