Temperature and Dimensionality Dependences of Optical Absorption Spectra in Mott Insulators

We investigate the temperature dependence of optical absorption spectra of one-dimensional (1D) and two-dimensional (2D) Mott insulators by using an effective model in the strong-coupling limit of a half-filed Hubbard model. In the numerically exact diagonalization calculations on finite-size clusters, we find that in 1D the energy position of the absorption edge is almost independent of temperature, while in 2D the edge position shifts to lower energy with increasing temperature. The different temperature dependence between 1D and 2D is attributed to the difference of the coupling of the charge and spin degrees of freedom. The implications of the results on experiments are discussed in terms of the dimensionality dependence.Comment: 5 pages, 4 figure

Mott Gap Excitations and Resonant Inelastic X-Ray Scattering in Doped Cuprates

Predictions are made for the momentum- and carrier-dependent degradation of the Mott gap upon doping in high-Tc cuprates as would be observed in Cu K-edge resonant inelastic x-ray scattering (RIXS). The two-dimensional Hubbard model with second- and third-nearest-neighbor hopping terms has been studied by numerical exact diagonalization. Special emphasis is placed on the particle-hole asymmetry of the Mott gap excitations. We argue that the Mott gap excitations observed by RIXS are significantly influenced by the interaction between charge carriers and antiferromagnetic correlations.Comment: 4 pages, 4 figures, revised version; to be published in Phys. Rev. Let

Analysis of transport properties of iron pnictides: spin-fluctuation scenario

We present a phenomenological theory of quasiparticle scattering and transport relaxation in the normal state of iron pnictides based on the simplified two-band model coupled via spin fluctuations. In analogy with anomalous properties of cuprates it is shown that a large and anomalous normal-state resistivity and thermopower can be interpreted as the consequence of strong coupling to spin fluctuations. The generalization to the superconducting phase is also discussed.Comment: Revised version, 6 pages, 11 references adde

Doping dependence of chemical potential and entropy in hole- and electron-doped high-Tc cuprates

We examine the thermodynamic properties of the hole- and electron-doped cuprates by using the t-t'-t''-J model. We find that the chemical potential shows different doping dependence between the hole and electron dopings. Recent experimental data of the chemical potential shift are reproduced except for lightly underdoped region in the hole doping where stripe and/or charge inhomogeneity are expected to be important. The entropy is also calculated as a function of the carrier concentration. It is found that the entropy of the electron-doped system is smaller than that of the hole-doped systems. This is related to strong antiferromagnetic short-range correlation that survives in the electron-doped system.Comment: REVTeX4, 3 pages, 3 figures, to appear in Phys. Rev.

Anomalous temperature dependence of the single-particle spectrum in the organic conductor TTF-TCNQ

The angle-resolved photoemission spectrum of the organic conductor TTF-TCNQ exhibits an unusual transfer of spectral weight over a wide energy range for temperatures 60K<T<260K. In order to investigate the origin of this finding, here we report numerical results on the single-particle spectral weight A(k,omega) for the one-dimensional (1D) Hubbard model and, in addition, for the 1D extended Hubbard and the 1D Hubbard-Holstein models. Comparisons with the photoemission data suggest that the 1D Hubbard model is not sufficient for explaining the unusual T dependence, and the long-range part of the Coulomb repulsion also needs to be included.Comment: 4 pages, 4 figure

Temperature dependence of spinon and holon excitations in one-dimensional Mott insulators

Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) measurements on one-dimensional Mott insulators, SrCuO${}_{2}$ and Na${}_{0.96}$V${}_{2}$O${}_{5}$, we examine the single-particle spectral weight of the one-dimensional (1D) Hubbard model at half-filling. We are particularly interested in the temperature dependence of the spinon and holon excitations. For this reason, we have performed the dynamical density matrix renormalization group and determinantal quantum Monte Carlo (QMC) calculations for the single-particle spectral weight of the 1D Hubbard model. In the QMC data, the spinon and holon branches become observable at temperatures where the short-range antiferromagnetic correlations develop. At these temperatures, the spinon branch grows rapidly. In the light of the numerical results, we discuss the spinon and holon branches observed by the ARPES experiments on SrCuO${}_{2}$. These numerical results are also in agreement with the temperature dependence of the ARPES results on Na${}_{0.96}$V${}_{2}$O${}_{5}$.Comment: 8 pages, 8 figure

Resonant Two-Magnon Raman Scattering and Photoexcited States in Two-Dimensional Mott Insulators

We investigate the resonant two-magnon Raman scattering in two-dimensional (2D) Mott insulators by using a half-filled 2D Hubbard model in the strong coupling limit. By performing numerical diagonalization calculations for small clusters, we find that the Raman intensity is enhanced when the incoming photon energy is not near the optical absorption edge but well above it, being consistent with experimental data. The absence of resonance near the gap edge is associated with the presence of background spins, while photoexcited states for resonance are found to be characterized by the charge degree of freedom. The resonance mechanism is different from those proposed previously.Comment: REVTeX4, 4 pages, 3 figures, to be published in Phys. Rev. Let

Drude Weight of the Two-Dimensional Hubbard Model -- Reexamination of Finite-Size Effect in Exact Diagonalization Study --

The Drude weight of the Hubbard model on the two-dimensional square lattice is studied by the exact diagonalizations applied to clusters up to 20 sites. We carefully examine finite-size effects by consideration of the appropriate shapes of clusters and the appropriate boundary condition beyond the imitation of employing only the simple periodic boundary condition. We successfully capture the behavior of the Drude weight that is proportional to the squared hole doping concentration. Our present result gives a consistent understanding of the transition between the Mott insulator and doped metals. We also find, in the frequency dependence of the optical conductivity, that the mid-gap incoherent part emerges more quickly than the coherent part and rather insensitive to the doping concentration in accordance with the scaling of the Drude weight.Comment: 9 pages with 10 figures and 1 table. accepted in J. Phys. Soc. Jp

Theoretical study of angle-resolved two-photon photoemission in two-dimensional insulating cuprates

We propose angle-resolved two-photon photoemission spectroscopy (AR-2PPES) as a technique to detect the location of the bottom of the upper Hubbard band (UHB) in two-dimensional insulating cuprates. The AR-2PPES spectra are numerically calculated for small Hubbard clusters. When the pump photon excites an electron from the lower Hubbard band, the bottom of the UHB is less clear, but when an electron in the nonbonding oxygen band is excited, the bottom of the UHB can be identified clearly, accompanied with additional spectra originated from the spin-wave excitation at half filling.Comment: 5 pages, 4 figure

Dynamical density matrix renormalization group study of photoexcited states in one-dimensional Mott insulators

科研費報告書収録論文(課題番号:16340097/研究代表者:前川禎通/スピン及び軌道による量子伝導の制御理論)47