x-ray absorption spectroscopy and multiplet calculations for and
- 13 March 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 63 (12) , 125123
- https://doi.org/10.1103/physrevb.63.125123
Abstract
The electronic structures of nickel and copper have been studied for and compounds by x-ray absorption spectroscopy at the Ni and Cu edges in order to characterize the chemical bond. The spectral features have been interpreted based on the mixing of two ground-state configurations Multiplet calculations were used to simulate each spectrum in order to quantify the charge transfer from fluorine to the transition metal yielding a 40% ground-state contribution of the configuration for and 65% of the configuration for
Keywords
This publication has 21 references indexed in Scilit:
- Valence electron distribution in La2Li1/2Cu1/2O4, Nd2Li1/2Ni1/2O4, and La2Li1/2Co1/2O4Chemical Physics Letters, 1998
- On the electronic structure of Cu(III) and Ni(III) in La2Li1/2Cu1/2O4, Nd2Li1/2Ni1/2O4, and Cs2KCuF6Chemical Physics, 1998
- K and LIII-edge XAS studies of Ni-, Cu- and Pd-fluorides in high oxidation statesNuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 1997
- Copper K-Edge X-ray Absorption Studies of La2-xKxCuO4 Superconductors, Ba4NaCuO4(CO3)2, and NdCu2O4Inorganic Chemistry, 1997
- Electronic structure of the local-singlet insulatorPhysical Review B, 1994
- Charge transfer satellites and multiplet splitting in X-ray photoemission spectra of late transition metal halidesJournal of Electron Spectroscopy and Related Phenomena, 1992
- Evidence of local singlet state in NaCuO2 from Cu 2p X-ray photoemission and photoabsorption spectraSolid State Communications, 1991
- ,3 x-ray-absorption edges of compounds: , , , and in (octahedral) symmetryPhysical Review B, 1990
- Correlation between oxygen-hole concentration and Tc in YBa2Cu3O7−δ from Cu-LIII X-ray absorptionPhysica B: Condensed Matter, 1989
- Spin-mixed ground state of Fe phthalocyanine and the temperature-dependent branching ratio in X-ray absorption spectroscopyChemical Physics Letters, 1988