AI Article Synopsis
- Recent studies show that diamond-like structures have caught attention for their superconducting properties, but most have low transition temperatures and limited research.
- Based on first-principles calculations, we predict that BCX (X = N, P) features superconductivity at ambient pressure, with transition temperatures ranging from 44.3 to 46.1 K, which is higher than typical diamond-like superconductors.
- The interaction between metallic electrons and softened phonon modes is key to their superconductivity, providing a valuable theoretical foundation for developing new high-temperature superconductors with diamond-like characteristics.
Article Abstract
In recent years, the superconducting properties of materials with diamond-like structures have attracted widespread attention. The superconducting transition temperature () of most diamond-like structures is relatively low, and there has been little research on the superconductivity of ternary diamond-like materials. Here, based on first-principles calculations, we predict BCX (X = N, P) with 31 space group, and reveal that they all exhibit phonon-mediated superconductivity at ambient pressure, with range from 44.3 to 46.1 K, which is higher than most diamond-like superconductors. The coupling between metallic electrons and softened phonon (B-C stretching modes) contributes greatly to their superconductivity. Our work provides an important theoretical basis for the experimental design and synthesis of ternary high-temperature superconductors with diamond-like structures.
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| http://dx.doi.org/10.1039/d4cp03755c | DOI Listing |
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