We report a study on charge-neutral crystal-field (dd) excitations in NiO as a function of applied pressure up to 55 GPa, using resonant inelastic x-ray scattering spectroscopy at the Ni K edge. We find distinct signatures of the pressure-induced modifications to the 3d orbital energies as a function of pressure. These modifications are experimentally evidenced by a subtle splitting of the dd-excitation resonance energies. We compare the experimental results to a charge-transfer cluster-model calculation, and a LSDA + U calculation of the ground state as a function of lattice constant. We thus show how resonant inelastic x-ray scattering spectroscopy is able to give insights into the manifold of excited states even in conditions that are difficult to access with many traditional experimental techniques. © 2014 IOP Publishing Ltd.

Crystal-field excitations in NiO under high pressure studied by resonant inelastic x-ray scattering / Huotari, S.; Simonelli, L.; Giordano, V.; Rintala, A.; Sahle, C.; Hakala, M.; Glatzel, P.; Verbeni, R.; Monaco, G.. - In: JOURNAL OF PHYSICS. CONDENSED MATTER. - ISSN 0953-8984. - 26:(2014), pp. 13550101-13550110. [10.1088/0953-8984/26/13/135501]

Crystal-field excitations in NiO under high pressure studied by resonant inelastic x-ray scattering

G. Monaco
2014-01-01

Abstract

We report a study on charge-neutral crystal-field (dd) excitations in NiO as a function of applied pressure up to 55 GPa, using resonant inelastic x-ray scattering spectroscopy at the Ni K edge. We find distinct signatures of the pressure-induced modifications to the 3d orbital energies as a function of pressure. These modifications are experimentally evidenced by a subtle splitting of the dd-excitation resonance energies. We compare the experimental results to a charge-transfer cluster-model calculation, and a LSDA + U calculation of the ground state as a function of lattice constant. We thus show how resonant inelastic x-ray scattering spectroscopy is able to give insights into the manifold of excited states even in conditions that are difficult to access with many traditional experimental techniques. © 2014 IOP Publishing Ltd.
2014
Huotari, S.; Simonelli, L.; Giordano, V.; Rintala, A.; Sahle, C.; Hakala, M.; Glatzel, P.; Verbeni, R.; Monaco, G.
Crystal-field excitations in NiO under high pressure studied by resonant inelastic x-ray scattering / Huotari, S.; Simonelli, L.; Giordano, V.; Rintala, A.; Sahle, C.; Hakala, M.; Glatzel, P.; Verbeni, R.; Monaco, G.. - In: JOURNAL OF PHYSICS. CONDENSED MATTER. - ISSN 0953-8984. - 26:(2014), pp. 13550101-13550110. [10.1088/0953-8984/26/13/135501]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11572/67812
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