Mottness collapse without metallisation in the domain walls of triangular-lattice Mott insulator 1T-TaS${}_2$

Abstract

1T-TaS${}_2$ is a charge-density-wave (CDW) compound with a Mott-insulating ground state. The metallic state obtained by doping, substitution or pulsed charge injection is characterized by an emergent CDW domain wall network, while single domain walls can be found in the pristine Mott state. Here we study whether and how the single walls become metallic. Tunneling spectroscopy reveals partial suppression of the Mott gap and the presence of in-gap states strongly localized at the domain-wall sites. Using the real-space dynamical mean field theory description of the strongly correlated quantum-paramagnet ground state we show that the local gap suppression follows from the increased hopping along the connected zig-zag chain of lattice sites forming the domain wall, and that full metallisation is preempted by the splitting of the quasiparticle band into bonding and antibonding sub-bands due to the structural dimerization of the wall, explaining the presence of the in-gap states and the low density of states at the Fermi level.

arXiv comment6 pages, 4 figures

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• Thermodynamic properties of an $S=1/2$ ring-exchange model on the triangular lattice
• Probing charge density wave phases and the Mott transition in $1T$-TaS${}_2$ by inelastic light scattering
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• Tunability of the magnetic properties in Ni intercalated transition metal dichalcogenide NbSe${}_2$
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