Inner-core excitation spectra of transition-metal compounds: II. p-d absorption spectra

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Abstract
Diagonalisation of the Hamiltonian matrices of the electron system p5dN (N=1-9) makes possible the calculation of the 3p-3d (M2,3) and 2p-3d (L2,3) absorption spectra of a series of transition-metal compounds. Comparison with the available experimental data leads one to the following conclusions: the cubic field is nearly the same as that of the initial state without the p hole. The p-d interactions are reduced to 50 approximately 60 per cent of those of a free ion. In addition, the transition probability from the core p electron to the conventional covalent eg orbital of a d electron is found to be about 65 per cent of that to the t2g orbital. Finally, differences in values of the interaction parameters from those of the XPS are discussed.