<p>This study investigates the superconducting properties of Dy-intercalated bilayer graphene (<InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(DyC_6\)</EquationSource> </InlineEquation>) using first-principles calculations. Under an applied pressure of 2 GPa, the electronic structure and electron-phonon coupling of <InlineEquation ID="IEq2"> <EquationSource Format="TEX">\(DyC_6\)</EquationSource> </InlineEquation> are evaluated within the EPW module of Quantum ESPRESSO. The results reveal a metallic multi-band Fermi surface with several bands crossing the Fermi level, indicative of strong electron-phonon coupling. The calculated electron-phonon coupling constant is <InlineEquation ID="IEq3"> <EquationSource Format="TEX">\(\lambda \)</EquationSource> </InlineEquation>= 0.929, and the superconducting critical temperature is predicted to be <InlineEquation ID="IEq4"> <EquationSource Format="TEX">\(Tc \approx \)</EquationSource> </InlineEquation> 11.14 K, with a superconducting gap of 1.69 meV. Analysis of the Eliashberg spectral function shows that superconductivity arises from the synergistic contribution of low-frequency Dy-related phonon modes and high-frequency C-related modes. Despite the inherent magnetic moment of Dy, calculations indicate that its magnetism is nearly quenched in the <InlineEquation ID="IEq5"> <EquationSource Format="TEX">\(DyC_6\)</EquationSource> </InlineEquation> system due to hybridization with carbon layers, allowing BCS-type phonon-mediated superconductivity to emerge. This work predicts <InlineEquation ID="IEq6"> <EquationSource Format="TEX">\(DyC_6\)</EquationSource> </InlineEquation> as a promising graphene-based superconductor and provides a theoretical basis for integrating magnetic rare-earth elements into two-dimensional materials to engineer superconducting properties.</p>

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First-Principles Investigation of Superconductivity in Dy-Intercalated Bilayer Graphene Under High Pressure

  • Yandong Yang

摘要

This study investigates the superconducting properties of Dy-intercalated bilayer graphene ( \(DyC_6\) ) using first-principles calculations. Under an applied pressure of 2 GPa, the electronic structure and electron-phonon coupling of \(DyC_6\) are evaluated within the EPW module of Quantum ESPRESSO. The results reveal a metallic multi-band Fermi surface with several bands crossing the Fermi level, indicative of strong electron-phonon coupling. The calculated electron-phonon coupling constant is \(\lambda \) = 0.929, and the superconducting critical temperature is predicted to be \(Tc \approx \) 11.14 K, with a superconducting gap of 1.69 meV. Analysis of the Eliashberg spectral function shows that superconductivity arises from the synergistic contribution of low-frequency Dy-related phonon modes and high-frequency C-related modes. Despite the inherent magnetic moment of Dy, calculations indicate that its magnetism is nearly quenched in the \(DyC_6\) system due to hybridization with carbon layers, allowing BCS-type phonon-mediated superconductivity to emerge. This work predicts \(DyC_6\) as a promising graphene-based superconductor and provides a theoretical basis for integrating magnetic rare-earth elements into two-dimensional materials to engineer superconducting properties.