Prediction of metastable YBH8 phases with high-T superconductivity: A first principle investigation

Key Points

• Metastable YBH8 phases exhibit high-temperature superconductivity under certain conditions, demonstrating potential advantages for advanced materials.
• The theoretical analysis reveals the electronic structure that supports superconductivity, with implications for future materials development.
• This study employs first principles calculations to investigate the properties of YBH8 phases, offering a detailed understanding of their behavior and stability.
• Finding new phases may enable the discovery of novel superconductors, highlighting the importance of computational studies in material science.