We present a combination of local density approximation (LDA) with the dynamical cluster approximation (LDA+DCA) in the framework of the full-potential linear augmented plane-wave method, and compare our LDA+DCA results for SrVO3 to LDA with the dynamical mean field theory (LDA+DMFT) calculations as well as experimental observations on SrVO3. We find a qualitative agreement of the momentum resolved spectral function with angle-resolved photoemission spectra (ARPES) and former LDA+DMFT results. As a correction to LDA+DMFT, we observe more pronounced coherent peaks below the Fermi level, as indicated by ARPES experiments. In addition, we resolve the spectral functions in the K0=(0,0,0) and K1=(π,π,π) sectors of DCA, where band insulating and metallic phases coexist. Our approach can be applied to correlated compounds where not only local quantum fluctuations but also spatial fluctuations are important.
@article{arxiv.1111.0890,
title = {Dynamical cluster approximation within an augmented plane-wave framework: Spectral properties of SrVO$_3$},
author = {Hunpyo Lee and Kateryna Foyevtsova and Johannes Ferber and Markus Aichhorn and Harald O. Jeschke and Roser Valenti},
journal= {arXiv preprint arXiv:1111.0890},
year = {2015}
}