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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.
1T-TaS$_2$ undergoes successive phase transitions upon cooling and eventually enters an insulating state of mysterious origin. Some consider this state to be a band insulator with interlayer stacking order, yet others attribute it to Mott physics tha
Tuning the electronic properties of a matter is of fundamental interest in scientific research as well as in applications. Recently, the Mott insulator-metal transition has been reported in a pristine layered transition metal dichalcogenides 1T-TaS$_
In a certain regime of low carrier densities and strong correlations, electrons can crystallize into a periodic arrangement of charge known as Wigner crystal. Such phases are particularly interesting in one dimension (1D) as they display a variety of
1T-TaS$_2$ is a cluster Mott insulator on the triangular lattice with 13 Ta atoms forming a star of David cluster as the unit cell. We derive a two dimensional XXZ spin-1/2 model with four-spin ring exchange term to describe the effective low energy
We investigate the low-temperature charge-density-wave (CDW) state of bulk TaS$_2$ with a fully self-consistent DFT+U approach, over which the controversy has remained unresolved regarding the out-of-plane metallic band. By examining the innate struc