Electronic spectrum of a helically Hund-coupled - MnO2

X-ray diffraction (XRD) and X-ray photoemission (XPS) were used to investigate a high-quality β - MnO2 thin film epitaxially grown on oriented MgO(001) substrate by plasma-assisted molecular beam epitaxy (PAMBE). Electronic spectrum and energy gap of the β - MnO2 were computed by local density approximation plus dynamical mean-field theory (LDA+DMFT) in Wannier function basis for a material-specific multiband Hubbard-like Hamiltonian. In the vicinity of Fermi surface, the shape of the calculated electronic spectrum is in good overall agreement with experimental XPS figure.