Ground-state oxygen holes and the metal–insulator transition in the negative charge-transfer rare-earth nickelates

Bisogni, Valentina; Catalano, Sara; Green, Robert J.; Gibert Gutierrez, Marta; Scherwitzl, Raoul; Huang, Yaobo; Strocov, Vladimir N.; Zubko, Pavlo; Balandeh, Shadi; Triscone, Jean-Marc; Sawatzky, George; Schmitt, Thorsten

doi:10.1038/ncomms13017

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Title		Ground-state oxygen holes and the metal–insulator transition in the negative charge-transfer rare-earth nickelates
Authors		Bisogni, Valentina Catalano, Sara Green, Robert J. Gibert Gutierrez, Marta Scherwitzl, Raoul Huang, Yaobo Strocov, Vladimir N. Zubko, Pavlo Balandeh, Shadi Triscone, Jean-Marc Sawatzky, George Schmitt, Thorsten show all authors [1 - 12]
Published in		Nature Communications. 2016, vol. 7, p. 13017
Abstract		The metal-insulator transition and the intriguing physical properties of rare-earth perovskite nickelates have attracted considerable attention in recent years. Nonetheless, a complete understanding of these materials remains elusive. Here we combine X-ray absorption and resonant inelastic X-ray scattering (RIXS) spectroscopies to resolve important aspects of the complex electronic structure of rare-earth nickelates, taking NdNiO3 thin film as representative example. The unusual coexistence of bound and continuum excitations observed in the RIXS spectra provides strong evidence for abundant oxygen holes in the ground state of these materials. Using cluster calculations and Anderson impurity model interpretation, we show that distinct spectral signatures arise from a Ni 3d(8) configuration along with holes in the oxygen 2p valence band, confirming suggestions that these materials do not obey a conventional positive charge-transfer picture, but instead exhibit a negative charge-transfer energy in line with recent models interpreting the metal-insulator transition in terms of bond disproportionation.
Identifiers		DOI: 10.1038/ncomms13017 PMID: 27725665
Full text		Article (Published version) (1.2 MB) - Free access
Structures		Faculté des sciences / Section de physique / Département de physique de la matière quantique
Citation (ISO format)		BISOGNI, Valentina et al. Ground-state oxygen holes and the metal–insulator transition in the negative charge-transfer rare-earth nickelates. In: Nature Communications, 2016, vol. 7, p. 13017. doi: 10.1038/ncomms13017 https://archive-ouverte.unige.ch/unige:96174