Abstract
We present a detailed description for the metal-insulator transition in paramagnetic . Based on recent experimental data we show the importance of multiorbital electron-electron interactions along with first-principles band structure data for a consistent description of the metal-insulator transition in this system. Using the local-density approximation (LDA)+dynamical mean field (DMFT) multiorbital iterated-perturbation theory scheme, which merges the LDA with DMFT, we show that the metal-insulator transition is accompanied by a large spectral weight transfer due to changes in the orbital occupations. Within this scenario we find good agreement with the one-electron spectral function in the metallic phase of . We also compare our results for the total spectral density with other approaches which use the quantum Monte Carlo method to solve the impurity problem of DMFT.
- Received 13 January 2005
DOI:https://doi.org/10.1103/PhysRevB.73.195120
©2006 American Physical Society