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Abstract:
The evolution of electrical transport properties, the electronic band structure, and lattice dynamics of PdSe2 is studied under high pressure. The emergence of superconductivity is reported in the high-pressure pyrite-type phase of PdSe2. In this transition-metal dichalcogenide, the critical temperature of superconductivity rapidly increases with pressure up to 13.1 K. Ab initio electronic band structure calculations indicate the presence of Dirac and nodal-line fermions in the vicinity of the Fermi energy protected by the pyrite structure symmetry, which can lead to interesting superconducting states. Raman spectroscopy shows a direct correlation between critical temperature and bonding strength of Se-Se dumbbells in PdSe2, underlining the crucial role of bonding for tuning the superconductivity.