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Register a new userPhotoemission of a doped Mott insulator: spectral weight transfer and qualitative Mott-Hubbard description
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The spectral weight evolution of the low-dimensional Mott insulator TiOCl upon alkali-metal dosing has been studied by photoelectron spectroscopy. We observe a spectral weight transfer between the lower Hubbard band and an additional peak upon electron-doping, in line with quantitative expectations in the atomic limit for changing the number of singly and doubly occupied sites. This observation is an unconditional hallmark of correlated bands and has not been reported before. In contrast, the absence of a metallic quasiparticle peak can be traced back to a simple one-particle effect.
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The temperature ($T$) dependent metal-insulator transition (MIT) in VO$_2$ is investigated using bulk sensitive hard x-ray ($sim$ 8 keV) valence band, core level, and V 2$p-3d$ resonant photoemission spectroscopy (PES). The valence band and core level spectra are compared with full-multiplet cluster model calculations including a coherent screening channel. Across the MIT, V 3$d$ spectral weight transfer from the coherent ($d^1underbar{it {C}}$ final) states at Fermi level to the incoherent ($d^{0}+d^1underbar{it {L}}$ final) states, corresponding to the lower Hubbard band, lead to gap-formation. The spectral shape changes in V 1$s$ and V 2$p$ core levels as well as the valence band are nicely reproduced from a cluster model calculations, providing electronic structure parameters. Resonant-PES finds that the $d^1underbar{it{L}}$ states resonate across the V 2$p-3d$ threshold in addition to the $d^{0}$ and $d^1underbar{it {C}}$ states. The results support a Mott-Hubbard transition picture for the first order MIT in VO$_2$.
We derived a simple metal-insulator criterion in analytical form for the doped Mott-Hubbard materials. Its readings closely related to the orbital and spin nature of the ground states of the unit cell. The available criterion readings (metal or insulator) in the paramagnetic phase points to the possibility of the insulator state of doped materials with the forbidden first removal electron states. According to its physical meaning the result is similar to Wilsons criterion in the itinerant electron systems. An application of the criterion to the high-Tc cuprates discussed.
We report bulk-sensitive hard X-ray ($h u$ = 5.95 KeV) core level photoemission spectroscopy (PES) of single crystal V$_{1.98}$Cr$_{0.02}$O$_{3}$ and the high-$T_c$ cuprate Bi$_2$Sr$_{2}$CaCu$_{2}$O$_{8+delta}$ (Bi2212). V$_{1.98}$Cr$_{0.02}$O$_{3}$ exhibits low binding energy satellites to the V $2p$ main lines in the metallic phase, which are suppressed in the antiferromagnetic insulator phase. In contrast, the Cu $2p$ spectra of Bi2212 do not show temperature dependent features, but a comparison with soft X-ray PES indicates a large increase in the $2p^5 3d^9$ satellites or $3d^9$ weight in the bulk. Cluster model calculations, including full multiplet structure and a screening channel derived from the coherent band at the Fermi energy, give very satisfactory agreement with experiments.
Detailed understanding of the role of single dopant atoms in host materials has been crucial for the continuing miniaturization in the semiconductor industry as local charging and trapping of electrons can completely change the behaviour of a device. Similarly, as dopants can turn a Mott insulator into a high temperature superconductor, their electronic behaviour at the atomic scale is of much interest. Due to limited time resolution of conventional scanning tunnelling microscopes, most atomic scale studies in these systems focussed on the time averaged effect of dopants on the electronic structure. Here, by using atomic scale shot-noise measurements in the doped Mott insulator Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8+x}$, we visualize sub-nanometer sized objects where remarkable dynamics leads to an enhancement of the tunnelling current noise by at least an order of magnitude. From the position, current and energy dependence we argue that these defects are oxygen dopant atoms that were unaccounted for in previous scanning probe studies, whose local environment leads to charge dynamics that strongly affect the tunnelling mechanism. The unconventional behaviour of these dopants opens up the possibility to dynamically control doping at the atomic scale, enabling the direct visualization of the effect of local charging on e.g. high T$_{text{c}}$ superconductivity.
We have performed the photoemission and inverse photoemission experiments to elucidate the origin of Mott insulating states in A-site ordered perovskite CaCu$_3$Ti$_4$O$_{12}$ (CCTO). Experimental results have revealed that Cu 3$d$-O 2$p$ hybridized bands, which are located around the Fermi level in the prediction of the local-density approximation (LDA) band calculations, are actually separated into the upper Hubbard band at $sim$ 1.5 eV and the lower Hubbard band at $sim$ $-$1.7 eV with a band gap of $sim$ 1.5-1.8 eV. We also observed that Cu 3$d$ peak at $sim$ $-$3.8 eV and Ti 3$d$ peak at $sim$ 3.8 eV are further away from each other than as indicated in the LDA calculations. In addition, it is found that the multiplet strucutre around $-$9 eV includes a considerable number of O 2$p$ states. These observations indicate that the Cu 3$d$ and Ti 3$d$ electrons hybridized with the O 2$p$ states are strongly correlated, which originates in the Mott-insulating states of CCTO.
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