The role of non-local correlations in the valence band spectra in NiO*

As an archetypical strongly-correlated material, late-transition metal NiO has been attracted for number of decades. The interesting electronic properties of charge transfer insulator and low energy Zhang-Rice bound state are attributed to Ni 3d and O 2p hybridization along with strong Coulomb interactions of Ni 3d. However, the rich physics may still raise unclear physical properties in NiO. One example is the second peak from the Fermi level in X-ray photoemission spectra which is enhanced below Neel temperature. By Using recently developed LQSGW + DMFT along with charge self-consistent LDA+DMFT, we will discuss the role of non-local correlation in the formation of the second peak and their temperature dependence.