Theoretical Predictions of Intrinsic Superconductivity in a Novel Two-Dimensional Cr₃B₅ Material

The rapid development of electronic, energy, and quantum technologies has elevated the demand for high-performance superconducting materials, making the design of new 2D superconductors a key research hotspot. In this study, by means of structure prediction method combined with first-principles calculations, we successfully identified an unprecedented two-dimensional-(2D) Cr₃B₅ material. The 2D Cr₃B₅ features a unique layered structure with high stability, as validated by cohesive energy calculations (7.54 eV/atom), elastic constant analysis, and phonon dispersion studies. Electronic structure analysis reveals a high density of states at the Fermi level, dominated by Cr-3d orbitals, supporting strong electron-phonon coupling (EPC). Low-frequency in-plane vibrations of Cr atoms contribute significantly to the EPC, yielding a computed constant (λ) of 0.896 and a superconducting transition temperature (T _c) of 11.678 K, making it practical and viable under liquid helium conditions. These findings establish Cr₃B₅ as an intrinsic phonon-mediated transition-metal boride superconductor with significant potential for experimental realization, paving the way for designing and understanding new 2D superconducting materials.