Anderson localization effect on Mott phase in 1T-TaS2

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In the layered dichalcogenide 1T-TaS2, whether there is a disorder-driven transition from insulator to metal is still a matter in dispute. It is predicted that the commensurate charge density wave (CCDW) phase at low temperature behaves as a Mott insulator due to the strong correlation of electrons. Meanwhile, the stacking of TaS layers is found to be dislocated along the c axis, which will introduce considerable effect of disorder. Therefore, further theoretical study is needed to show the cooperative effect of correlation and disorder in 1T-TaS2. The statistical dynamical mean-field theory, which treats interactions and disorder on an equal footing, is used to study the effect of disorder on the Mott insulating phase in 1T-TaS2. Two different kinds of disorder effects are considered in the one-dimensional extended Anderson-Hubbard model, where the stacking dislocation of TaS layers is described by the off-diagonal hopping disorder and the diagonal disorder term represents the effect of disorder introduced by impurities. We find that the off-diagonal disorder by itself could not close the Mott gap at Fermi level, suggesting that Mott mechanism should be more dominant in the CCDW phase of 1T-TaS2 with the stacking dislocation of TaS layers. On the other hand, the diagonal disorder introduced by impurities will close the Mott gap when the strength of disorder (W) is larger than the correlation of electrons (U). Proved by the lattice-size scaling of the generalized inverse participation ratio, both the off-diagonal disorder and diagonal disorder can make all states Anderson-localized. As a result, there is no disorder-induced metal-insulator transition in a correlated system with either off-diagonal disorder or diagonal disorder. In addition, an anomalistic state is introduced by the off-diagonal disorder at the center of the energy band of the non-interacting system, which is a special Anderson-localized state with a very larger localization length. In the correlated cases, the electron-electron interactions have strong effect on splitting the anomalistic state into two individual states, which are located symmetrically in both the upper and lower Hubbard subbands with an energy interval U.