Volume 38 Issue 2
Apr 2024
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Article Contents
LIU Jinyu, CUI Xiangyue, LIU Ailing, CHENG Xiaoran, WANG Xingyu, WANG Yujia, ZHANG Miao. Prediction of Superconducting RbBSi  Compounds under Pressure[J]. Chinese Journal of High Pressure Physics, 2024, 38(2): 020107. doi: 10.11858/gywlxb.20230765
Citation: LIU Jinyu, CUI Xiangyue, LIU Ailing, CHENG Xiaoran, WANG Xingyu, WANG Yujia, ZHANG Miao. Prediction of Superconducting RbBSi  Compounds under Pressure[J]. Chinese Journal of High Pressure Physics, 2024, 38(2): 020107. doi: 10.11858/gywlxb.20230765

Prediction of Superconducting RbBSi  Compounds under Pressure

doi: 10.11858/gywlxb.20230765
Funds:  Jilin Provincial Science and Technology Development Joint Fund Project (YDZJ202201ZYTS581); Scientific and Technological Research Project of Jilin Province Education Department (Grant No. JJKH20240077KJ)
More Information
  • Author Bio:

    Liu Jinyu (2000-), female, postgraduate, mainly focuses on the materials science at extreme condition. E-mail: liujinyu2577@163.com

    Cui Xiangyue (1995-), female, doctoral student, mainly focuses on the materials science at extreme condition. E-mail: nacy_cuixiangyue@126.com

  • Corresponding author: Zhang Miao (1981-), female, professor, mainly focuses on the computational design of novel functional materials and materials science at extreme condition. E-mail: zhangmiaolmc@126.com
  • Received Date: 24 Oct 2023
  • Rev Recd Date: 22 Jan 2024
  • Accepted Date: 22 Jan 2024
  • Available Online: 11 Apr 2024
  • Issue Publish Date: 09 Apr 2024
  • In this work, we have performed extensive swarm-intelligence structures searching simulations on the RbBSi compounds within the pressure range from 0 to 100 GPa. We have proposed three different phases of RbBSi, of which the stability, the electronic structure and the potential superconductivity were calculated by first-principles calculations. All predicted phases are thermodynamically and dynamically stable within the studied pressure range. The bands of the three phases crossing the Fermi level indicate the structures are all metallic. In addition,P4/nmm-RbBSi is a superconductor withTc of 14.4 K at ambient pressure. This work extends the understanding and potential application of alkali metal boron-silicide compounds in the field of superconductor.

     

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