Charge correlation in V${}_2$OPO${}_4$ probed by hard x-ray photoemission spectroscopy

Abstract

Electronic properties of V${}_2$OPO${}_4$ have been investigated by means of hard x-ray photoemission spectroscopy (HAXPES) and subsequent theoretical calculations. The V 1$s$ and 2$p$ HAXPES spectra are consistent with the charge ordering of V${}^{2+}$ and V${}^{3+}$. The binding energy difference between the V${}^{2+}$ and V${}^{3+}$ components is unexpectedly large indicating large bonding-antibonding splitting between them in the final states of core level photoemission. The V 1$s$ HAXPES spectrum exhibits a charge transfer satellite which can be analyzed by configuration interaction calculations on a V${}_2$O${}_9$ cluster. The V 3$d$ spectral weight near the Fermi level is assigned to the 3$d$ $t_{2g}$ orbitals of the V${}^{2+}$ site. The broad V 3$d$ spectral distribution is consistent with the strong hybridization between V${}^{2+}$ and V${}^{3+}$ in the ground state. The core level and valence band HAXPES results indicate substantial charge transfer from the V${}^{2+}$ site to the V${}^{3+}$ site.7 figure

16 pages, 7 figures

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