SCES Webinar Series

Título: Unveiling details in spectral densities of correlated systems

In spite of important recent improvements in the theoretical handling of correlated materials, it is still difficult to obtain precise and detailed theoretical electronic structure results to compare with experiments, like angular resolved photoemission (ARPES), inverse photo-emission experiments (IPE) or optical conductivity measurements. We calculate and resolve with unprecedented detail the spectral densities at zero temperature of key models for strongly correlated electron materials by means of a highly optimized Dynamical Mean Field Theory which uses the Density Matrix Renormalization Group as the (effective) impurity solver. I will show results for the two-orbital Hubbard model at half-filled and hole-doped
situations in the presence of inter-orbital Coulomb and Hund interactions for equal and different band-widths. For the half-filled case we observe the emergence of an in-gap narrow band when at least one of the orbitals is metallic which we identify as formed by inter-orbital holon-doublon bound states. When the system is hole doped, we observe clear subbands within the Mott gap formed by pure holon-doublon pairs which are pulled down from the upper Hubbard band to lower energies by the inter-orbital Coulomb interaction and are split by the magnetic Hund’s interactions. The lower Hubbard band also splits into a coherent narrowly dispersing peak around the Fermi energy, and another subband which evolves with the chemical potential.

We hope that the results presented here together with the possibility of calculating more precise spectral functions for models of correlated materials will stimulate a closer study of the details of experimental results and, hence, will contribute to unveil the complex and elusive microscopic behavior of strongly correlated materials.

O evento será transmitido pelo Zoom: https://us02web.zoom.us/j/4396875843?pwd=T0pwTFNyTk5majkxNW1mZWhneTBBdz09 / Meeting ID: 439 687 5843 - Password: 660629 e na página do Facebook do IFGW https://www.facebook.com/FisicaUnicamp/