Theoretical Study of High Harmonic Generation in Monolayer NbSe₂.

ABSTRACT: High harmonic generation (HHG) is a powerful probe of electron dynamics on attosecond to femtosecond time scales and has been successfully used to detect electronic and structural changes in solid-state quantum materials, including transition-metal dichalcogenides (TMDs). Among TMDs, bulk NbSe₂ exhibits charge density wave (CDW) order below 33 K and becomes superconducting below 7.3 K. Monolayer NbSe₂ also has superconducting and CDW behavior and is therefore interesting as a material whose different structural and electronic properties could be probed via HHG. Here, we predict the HHG response of the pristine 2H and CDW phases of monolayer NbSe₂ using real-time time-dependent density functional theory under the application of a simulated laser pulse excita

SUBMITTER: Rehn DA 

PROVIDER: S-EPMC12862804 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature