Progress in Physics ›› 2022, Vol. 42 ›› Issue (6): 195-206.doi: 10.13725/j.cnki.pip.2022.06.001

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Pressure-Induced Superconducting and Topological Phase Transitions in the RuX2 (X=P, As, Sb) Family Compounds


  1. 1. National Laboratory of Solid State Microstructures, School of Physics, Nanjing University, Nanjing 210093, China; 2. School of Physical Science and Technology, ShanghaiTech University, 393 Middle Huaxia Road, Shanghai 201210, China; 3. Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China
  • Online:2022-12-20 Published:2023-03-22
  • Supported by:

    The financial support from the National Key R&D Program of China (grant nos. 2022YFA1403201), the National Natural Science Foundation of China (grant no. 12125404, 11974162, and 11834006), and the Fundamental Research Funds for the Central Universities. 


RuSb2, as a sister material of thermoelectric material FeSb2, has been extensively studied focusing on the comparisons with FeSb2, however, the properties of RuSb2 under pressure have not been surveyed thoroughly yet. In this work, we studied the properties of RuSb2 under pressure and explored the similarities and differences of crystal and electronic structures between the Ru-pnictides partners RuP2 and RuAs2. Using the crystal structures search method together with first-principles calculations, we found that this family undergoes a serial of structural phase transitions: (I) For RuSb2: PnnmI4/mcmI4/mmm; (II) for RuP2: PnnmI41/amd → Cmcm; (III) for RuAs2: Pnnm → P-62m. The newly found five phases are all energetically and dynamically stable at high-pressure and exhibit metallic properties. The four high pressure phases of RuSb2 and RuP2 can be quenched to zero pressure. The superconducting transition temperatures of I4/mcm and I4/mmm phases of RuSb2 and I41/amd and Cmcm phase of RuP2 are predicted to be approximately 7.3 K, 10.9 K, 13.0 K, and 10.1 K at 0 GPa, respectively. In addition, the I4/mcm and I4/mmm phases of RuSb2 and the I41/amd phase of RuP2 exhibit non-trivial topological properties. Our studies illustrate that pressure is an effective way to tune the structural, electronic, and superconducting behavior of the Ru-pnictides compounds.

Key words: high-pressure, crystal structures search method, phase transition, superconductor, topological materials

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