Dynamical cluster approximation within an augmented plane wave framework: Spectral properties of SrVO3

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 K-0 = (0,0,0) and K-1 = (pi, pi, pi) 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.