Atomic Multiplet and Charge Transfer Effects in the Resonant Inelastic X-Ray Scattering (RIXS) Spectra at the Nickel L 2,3 Edge of NiF2

J Jimenez-Mier,P Olalde-Velasco,J Denlinger,P De La Mora,W.L Yang

doi:10.15415/jnp.2017.51001

Abstract

Resonant inelastic x-ray scattering (RIXS) is used to study the electronic structure of NiF2, which is the most ionic of the nickel compounds. RIXS can be viewed as a coherent two-steps process involving the absorption and the emission of x-rays. The soft x-ray absorption spectrum (XAS) at the metal L2,3 edge indicate the importance of atomic multiplet effects. RIXS spectra at L2,3 contain clearly defined emission peaks corresponding to d-excited states of Ni2+ at energies few eV below the elastic emission, which is strongly suppressed. These results are confirmed by atomic multiplet calculations using the Kramers-Heisenberg formula for RIXS processes. For larger energy losses, the emission spectra have a broad charge-transfer peak that results from the decay of hybridized Ni(3d)-F(2p) valence states. This is confirmed by comparison of the absorption and emission spectra recorded at the nickel L and fluorine K edges with F p and Ni d partial density of states using LDA + U calculations.

Highlights

Evolution of shapes in the nuclei has been investigated consistently by various theoretical and experimental techniques since long
We have performed RMF calculations using NL3* [8] parameter for the entire isotopic chain of Ne, Mg, Si and S and obtained the variation of binding energies (= -E) with respect to quadrupole deformation parameter β and evaluated the shape and deformation corresponding to energy minima
Some of the nuclei are found with the coexisting prolate and oblate minima and referred to as the potential candidates of shape coexistence

Summary

Introduction

Evolution of shapes in the nuclei has been investigated consistently by various theoretical and experimental techniques since long. Abstract A detailed and systematic study has been performed using state dependent Relativistic Mean-Field plus BCS (RMF+BCS) approach to investigate shape evolution for even-even isotopes of Ne, Mg, Si and S.

Results

Conclusion