Semimetallic, Half-Metallic, Semiconducting, and Metallic States in Gd-Sb Compounds

Area of Science:

• Condensed Matter Physics
• Materials Science
• Quantum Materials

Background:

• Gadolinium- and Antimony-based intermetallic materials are of interest due to their potential topological features.
• Understanding their electronic and band structures is crucial for exploring quantum material properties.

Purpose of the Study:

• To theoretically investigate the electronic and band structures of five Gd-Sb based compounds.
• To demonstrate the variety of electronic properties within the Gd-Sb family.
• To identify potential topological features and their implications.

Main Methods:

• Utilizing the theoretical ab initio approach.
• Accounting for strong electron correlations of Gd-4f electrons.
• Analyzing band structures and electronic states.

Main Results:

• GdSb exhibits a semimetallic state with topological features.
• GdNiSb is a semiconductor with a 0.38 eV indirect band gap.
• Gd4Sb3 is a half-metal with a 0.67 eV minority spin gap.
• GdSbS2O is a semiconductor with a small indirect gap.
• GdSb2 is metallic and displays Dirac-cone-like features split by spin-orbit coupling.

Conclusions:

• Gd-Sb based materials display a wide range of electronic properties including semimetallic, semiconducting, and half-metallic states.
• Topological features were identified in some compounds, suggesting potential for unique transport and magnetic properties.
• These materials are promising for applications requiring large magnetoresistance.