Robust Topological Surface States and Enhanced Superconductivity in Self-Intercalated PdTe₂

Area of Science:

• Condensed Matter Physics
• Materials Science
• Quantum Materials

Background:

• Intercalation in layered materials tunes physical properties.
• Self-intercalation's role in topological states and superconductivity is under-explored.

Purpose of the Study:

• Investigate the impact of self-intercalation on topological states and superconductivity.
• Explore the Dirac semimetal PdTe2 and its self-intercalated derivative, PdTe.

Main Methods:

• First-principles calculations.
• Systematic study of PdTe2 and PdTe.

Main Results:

• PdTe2 exhibits a type-II bulk Dirac point; PdTe has a type-I bulk Dirac point.
• Self-intercalation alters the character and energy of bulk Dirac Fermions.
• Topological surface states are robust against structural modification in both compounds.
• PdTe shows a superconducting transition temperature more than double that of PdTe2.

Conclusions:

• Self-intercalation effectively modifies topological electronic structure.
• This strategy enhances superconductivity in layered transition-metal chalcogenides.
• Self-intercalation is a promising route for engineering novel quantum materials.