Optical Weights and Waterfalls in Doped Charge Transfer Insulators: an LDA+DMFTStudy of LSCO

TL;DR

This study employs LDA+DMFT to analyze the spectral features of doped charge transfer insulators like LSCO, revealing waterfall phenomena, spectral weight transfer asymmetry, and superlinear optical spectral weight increase consistent with experiments.

Contribution

It provides a detailed LDA+DMFT analysis of spectral features and optical properties in doped LSCO, highlighting waterfall features and doping asymmetries.

Findings

Identification of coherent and incoherent spectral features including quasiparticles and Hubbard bands.

Observation of waterfall-like features between quasiparticle and incoherent bands.

Superlinear increase of optical spectral weight with hole doping.

Abstract

We use the Local Density Approximation in combination with the Dynamical Mean Field Theory to investigate intermediate energy properties of the copper oxides. We identify coherent and incoherent spectral features that results from doping a charge transfer insulator, namely quasiparticles, Zhang-Rice singlet band, and the upper and lower Hubbard bands. Angle resolving these features, we identify a \emphasize{waterfall} like feature, between the quasiparticle part and the incoherent part of the Zhang-Rice band. We investigate the assymetry between particle and hole doping. On the hole doped side, there is a very rapid transfer of spectral weight upon doping in the one particle spectra. The optical spectral weight increases superlinearly on the hole doped side in agreement with experiments.