Semimetallic superconductivity in cubic Nd₃In: a first-principles insight into indium-based compounds

Area of Science:

• Condensed Matter Physics
• Materials Science
• Quantum Computing

Background:

• The search for materials combining superconductivity and non-trivial topology is crucial for advancing quantum technologies.
• Such materials can host exotic quantum states with potential applications.

Purpose of the Study:

• To predict and characterize cubic Neodymium-3-Indium (Nd3In) as a candidate material with both superconductivity and topological properties.
• To investigate the underlying mechanisms and potential applications of its unique electronic structure.

Main Methods:

• First-principles calculations were employed to investigate the electronic and phononic properties of Nd3In.
• Anisotropic Migdal-Eliashberg theory was used to analyze electron-phonon coupling and predict superconducting transition temperatures.
• Topological invariants and Fermi surface features were analyzed to confirm its topological nature.

Main Results:

• Nd3In exhibits strong-coupling superconductivity (electron-phonon coupling constant λ = 1.39) with a predicted superconducting transition temperature (Tc) of approximately 14 K at ambient pressure.
• Under pressure (15 GPa), the Tc increases to 18 K, making it the highest reported for cubic semimetallic superconductors.
• The material is identified as a Weyl semimetal, confirmed by the presence of Fermi arcs and non-trivial Z2 topological invariants.

Conclusions:

• Cubic Nd3In is a promising material that simultaneously possesses strong-coupling superconductivity and non-trivial topological characteristics.
• Its unique properties make it a strong candidate for applications in quantum transport and topological quantum computation.