Comment on "Identification of the Mott Insulating Charge Density Wave State in $1T$-TaS$_2$"

TL;DR

This paper critically examines the use of DFT+$U$ methods for modeling the star-of-David phase in $1T$-TaS$_2$, discussing the plausibility of a Mott insulating state based on experimental data.

Contribution

It provides a critical analysis of DFT+$U$ applicability and evaluates the Mott phase hypothesis for $1T$-TaS$_2$ in light of experimental findings.

Findings

DFT+$U$ may have limitations in modeling $1T$-TaS$_2$

The Mott insulating state remains a plausible ground state

Experimental evidence is key to validating theoretical models

Abstract

The applicability of DFT+$U$ to the star-of-David phase of $1T$-TaS$_2$ is examined. The viability of a Mott phase as a ground state for the bulk of this material is briefly discussed in light of the available experimental evidence.