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The mechanism of emergent bulk superconductivity in transition metalintercalated ZrTe3 is investigated by studying the effect of Ni doping on theband structure and charge density wave (CDW). The study reports theoretical andexperimental results in the range of Ni0.01ZrTe3 to Ni0.05ZrTe3. In the highestdoped samples bulk superconductivity with Tc < TCDW is observed, while TCDW isstrongly reduced. Relativistic ab-initio calculations reveal Ni incorporationoccurs preferentially through intercalation in the van-der-Waals gap. Analysisof the structural and elec- tronic effects of intercalation, indicate bucklingof the Te-sheets adjacent to the Ni site akin to a locally stabilised CDW-likelattice distortion. Experiments by low temperature x-ray diffraction,angle-resolved-photoemission spectroscopy (ARPES) as well as temperaturedependent resistivity reveal the nearly unchanged persistence of the CDW intothe regime of bulk superconductivity. The CDW gap is found to be unchanged inits extent in momentum space, with the gap size also unchanged or possiblyslightly reduced on Ni intercalation. Both experimental observations suggestthat superconductivity coexists with the CDW in NixZrTe3.

Local corrugation and persistent charge density wave in ZrTe3 with Ni intercalation