Cluster Size and Shape Effect on the Electronic Structure of the Hubbard Model Within the Norm-Conserving Cluster Perturbation Theory

Krinitsyn, Aleksandr; Николаев, С. В.; Овчинников, С. Г.

doi:10.1007/s10948-013-2418-7

Cited by 5 publications

(2 citation statements)

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“…This is much larger than the in-gap states reported earlier [14][15][16][17][18][19] for HM calculations with U representing the CT gap. Besides the presence of in-gap states, when the system is doped with holes, there is also a systematic evolution in the spectral weight distribution or local density of states (LDOS) measured at different positions.…”

Section: Introductionmentioning

confidence: 56%

“…For the electrondoped case [14], an in-gap state was found at the bottom of UHB, which is in agreement with the in-gap states seen by STS on Ca 2 CuO 2 Cl 2 [2] near an impurity. For the hole-doped case [15][16][17][18][19], there were low-energy in-gap states with energy less than 0.2U . On the experimental side, the x-ray absorption spectra (XAS) [20,21] have observed the spectral weight transferred from UHB to LHB as doping increases but the broadness of the peaks makes it difficult to make detail comparison.…”

Section: Introductionmentioning

confidence: 96%

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Spectral evolution with doping of an antiferromagnetic Mott state

Lee

2017

Phys. Rev. B

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Since the discovery of half-filled cuprate to be a Mott insulator, the excitation spectra above the chemical potential for the unoccupied states has attracted many research attentions. There were many theoretical works using different numerical techniques to study this problem, but many have reached different conclusions. One of the reasons is the lack of very detailed high-resolution experimental results for the theories to be compared with. Recently, the scanning tunneling spectroscopy (STS)[1, 2] on lightly doped Mott insulator with an antiferromagnetic (AFM) order found the presence of in-gap states with energy of order half an eV above the chemical potential. The measured spectral properties with doping are not quite consistent with earlier theoretical works. In this paper we perform a diagonalization method on top of the variational Monte Carlo (VMC) calculation to study the evolution of AFM Mott state with doped hole concentration in the Hubbard model (HM). Our results found in-gap states that behave similarly with ones reported by STS. These in-gap states acquire a substantial amount of dynamical spectral weight transferred from the upper Hubbard band. The in-gap states move toward chemical potential with increasing spectral weight as doping increases. Our result also provides information about the energy scale of these in-gap states in relation with the coulomb coupling strength U.

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