2008/04/09 by Cédric Weber, Kristjan Haule, Gabriel Kotliar · 69 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Condensed matter physics #Density functional theory #Doping #Hubbard model #Magnetic and transport properties of perovskites and related materials #Mean field theory #Mott insulator #Optical conductivity #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Quasiparticle #cond-mat.str-el #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.78.134519
published in Physical Review B 78(13) (American Physical Society) · 4 pages
arxiv created 2008/04/09 · openalex publication_date 2008/10/15 · arxiv updated 2013/05/29 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
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 result 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 waterfall-like feature between the quasiparticle part and the incoherent part of the Zhang-Rice band. We investigate the asymmetry 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.