Nominal Effect of Mg Intercalation on the Superconducting Properties of 2H-NbSe2.

2H-NbSe2 is a phonon-mediated, Fermi-surface topology-dependent multiband superconductor with an incommensurate charge-density wave (CDW) that coexists at a local level with superconductivity. Usually, the intercalation in 2H-NbSe2 enriches the CDW, enhances the c-axis lattice parameter, and distorts the Fermi surface, which result in a decrease in the superconducting transition temperature (Tc). The rate of decrease of Tc depends on the electronic structure, size, valence, magnetic nature, and electronegativity of the intercalating species. Herein, we report an unusual effect of Mg intercalation on the superconductivity of 2H-MgxNbSe2 (x = 0.0, 0.02, 0.06, 0.08, 0.10, and 0.12) synthesized by a high-temperature solid-state reaction method. Unlike other s- and p-block elements/species as intercalants (Rb, Sn, Ga, and Al) that have a sharp detrimental effect on the Tc of 2H-NbSe2 within 1-5% of intercalation, Mg is found to be an exception. Upon Mg intercalation up to x = 0.06, no remarkable changes in Tc as compared to the parent 2H-NbSe2 (Tc ∼ 6.7 K) are observed, and further intercalation results in a small decrease in Tc (for x = 0.12, Tc = 6.2 K). From heat-capacity measurements, it is inferred that superconducting Mg-intercalated 2H-NbSe2 exhibits strong electron-phonon coupling. Electronic structure calculations on two s-block element intercalated compounds of formula M0.125NbSe2 (M = Mg, Rb) show that Rb s-, p-, and d-states completely overlap with the Nb d states, while the Mg s states lie in a low-energy region as compared to Nb d states, indicating a weak interaction between the intercalant and the Nb sublattice in Mg0.125NbSe2 as compared to Rb0.125NbSe2. These results suggest that the electronic states of the Nb network in 2H-NbSe2 are least altered with Mg intercalation, which could be one of the reasons for the minimal effect on the Tc with intercalation.