Electronic structure of MnO

The electronic structure of MnO has been investigated using high-energy (x-ray photoelectron and bremsstrahlung-isochromat) spectroscopies. An experimental gap of 3.9 eV is found. By comparing the experimental results to a configuration-interaction cluster model, values for the different parameters in a model Hamiltonian are found [U=8.5 eV, {Δ}=8.8 eV, and (pd{σ})=1.3 eV]. These parameter values place MnO in the intermediate region of the Zaanen-Sawatzky-Allen phase diagram. By using the same parameters, the d-d forbidden optical-absorption energies can be calculated, and good agreement with experiment is found.