First-principles study of the superconducting properties of incompressible Re3X (X = B, C, and N) at ambient pressure

IF 2.3 3区物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY

Physics Letters A Pub Date : 2025-01-22 DOI:10.1016/j.physleta.2025.130292

Wei-Wei Li, Hai-Jun Peng, Xi-Long Dou, Yu-Wei Chen, Shuang-Gang Xu, Xiao-Wei Sun

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Abstract

The discovery of a superconducting transition temperature of 32 K in MoB₂ has sparked intensified interest in the search for superconducting materials in among transition metals. The subsequent challenge lies in identifying superconducting materials within transition metals that can be synthesized at lower pressures. To address this, we investigate the electronic structure, lattice dynamics, and superconducting properties of Re₃X (where X = B, C, and N) at ambient pressure. Our results reveal that the varying densities of states contributed by Re, B, C, and N near the Fermi surface, along with the distinct bonding characteristics of Re-B, Re-C, and Re-N bonds, result in superconducting transition temperatures of 4.1, 0.6, and 2.6 K for Re₃B, Re₃C, and Re₃N, respectively, and superconducting hardness values of 12.8, 24.5, and 16.8 GPa. This study provides a theoretical basis for further exploration of transition metal superconducting materials under atmospheric pressure.

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来源期刊

Physics Letters A 物理-物理：综合

CiteScore

5.10

自引率

3.80%

发文量

493

审稿时长

30 days

期刊介绍： Physics Letters A offers an exciting publication outlet for novel and frontier physics. It encourages the submission of new research on: condensed matter physics, theoretical physics, nonlinear science, statistical physics, mathematical and computational physics, general and cross-disciplinary physics (including foundations), atomic, molecular and cluster physics, plasma and fluid physics, optical physics, biological physics and nanoscience. No articles on High Energy and Nuclear Physics are published in Physics Letters A. The journal''s high standard and wide dissemination ensures a broad readership amongst the physics community. Rapid publication times and flexible length restrictions give Physics Letters A the edge over other journals in the field.