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Journal of Electron Spectroscopy and Related Phenomena

Coexistence of both coherent and incoherent peaks in photoemission spectra of intermediately correlated many-electron systems

Keiichirō Nasu, M. Yamazaki, Norikazu Tomita, Hui Chao Zhao, Chao Wu

Published Apr 10, 2004• 1 citation
Publisher
DOI
10.1016/j.elspec.2004.02.131

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We calculate the photoemission/inverse photoemission spectrum for an N-fold degenerate Hubbard model, in the 1/N approximation. The spectra are broadened, and for sufficiently large Coulomb interaction strengths the spectra show satellites both in the photoemission and the brehmstrahlung isochromat spectroscopy portions of the spectra. The intensity of the spectra at the fermi level are equal to the noninteracting values, in accordance with Luttinger’s theorem. We show that this can result in a temperature-dependent peak at the Fermi level; the width of the peak is governed by the quasi-particle lifetime. We relate the temperature dependent peak to the Fermi-liquid properties.
We present an efficient numerical method for the description of ground state and spectral properties of a doped hole in generalized $t\text{\ensuremath{-}}J$ models coupled to optical phonons. In the weak-coupling regime, coherent hole motion is less affected by the electron-phonon (EP) interaction in the electron than in the hole-doped system. Increasing the strength of EP coupling leads to a vanishing low-energy spectral weight around $\ensuremath{\Gamma}$ point. Spectral properties are in the strong coupling regime consistent with recent high-resolution angle resolved photoemission spectra (ARPES) [K. M. Shen et al., Phys. Rev. Lett. 93, 267002 (2004)]. A waterfall-like feature appears connecting the dispersive low-energy band with the incoherent high-energy peak resembling ARPES data [F. Ronning et al., Phys. Rev. B 71, 094518 (2005)].
We have theoretically studied various one-dimensional half-filled Hubbard models from weak correlation cases to strong ones, and calculated the Lehmann spectra of the momentum-specified one-body Green's functions, as well as the total density of states (DOS), using the quantum Monte Carlo method. In the region of intermediate correlation strength, we have found the DOS has new characteristic peaks near the Fermi level, in addition to the well-known upper and lower Hubbard-band peaks. We show these new peaks near the Fermi level come from quasi-coherent states, while the upper and lower Hubbard-band peaks come from strongly incoherent ones. This multi-peaked structure, appearing only in the intermediate region, is shown to be quite insensitive to the dimensionality. Finally, we compare our results with the static single impurity model, and give a rough and intuitive explanation for the origin of this newly obtained multi-peaked structure. Our results also qualitatively agree with the recent experiments on CaVO 3 and SrVO 3 crystals.