Cargando…

Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides

[Image: see text] We show that with 2p3d resonant inelastic X-ray scattering (RIXS) we can accurately determine the charge-transfer parameters of CoF(2), CoCl(2), CoBr(2), and CoS. The 160 meV resolution RIXS results are compared with charge-transfer multiplet calculations. The improved resolution a...

Descripción completa

Detalles Bibliográficos
Autores principales: Wang, Ru-Pan, Liu, Boyang, Green, Robert J., Delgado-Jaime, Mario Ulises, Ghiasi, Mahnaz, Schmitt, Thorsten, van Schooneveld, Matti M., de Groot, Frank M. F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5694969/
https://www.ncbi.nlm.nih.gov/pubmed/29170686
http://dx.doi.org/10.1021/acs.jpcc.7b06882
_version_ 1783280228694491136
author Wang, Ru-Pan
Liu, Boyang
Green, Robert J.
Delgado-Jaime, Mario Ulises
Ghiasi, Mahnaz
Schmitt, Thorsten
van Schooneveld, Matti M.
de Groot, Frank M. F.
author_facet Wang, Ru-Pan
Liu, Boyang
Green, Robert J.
Delgado-Jaime, Mario Ulises
Ghiasi, Mahnaz
Schmitt, Thorsten
van Schooneveld, Matti M.
de Groot, Frank M. F.
author_sort Wang, Ru-Pan
collection PubMed
description [Image: see text] We show that with 2p3d resonant inelastic X-ray scattering (RIXS) we can accurately determine the charge-transfer parameters of CoF(2), CoCl(2), CoBr(2), and CoS. The 160 meV resolution RIXS results are compared with charge-transfer multiplet calculations. The improved resolution and the direct observation of the crystal field and charge-transfer excitations allow the determination of more accurate parameters than could be derived from X-ray absorption and X-ray photoemission, both limited in resolution by their lifetime broadening. We derive the crystal field and charge-transfer parameters of the Co(2+) ions, which provides the nature of the ground state of the Co(2+) ions with respect to symmetry and hybridization. In addition, the increased spectral resolution allows the more accurate determination of the atomic Slater integrals. The results show that the crystal field energy decreases with increasing ligand covalency. The L(2) edge RIXS spectra show that the intensity of the (Coster–Kronig induced) nonresonant X-ray emission is a measure of ligand covalency.
format Online
Article
Text
id pubmed-5694969
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-56949692017-11-21 Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides Wang, Ru-Pan Liu, Boyang Green, Robert J. Delgado-Jaime, Mario Ulises Ghiasi, Mahnaz Schmitt, Thorsten van Schooneveld, Matti M. de Groot, Frank M. F. J Phys Chem C Nanomater Interfaces [Image: see text] We show that with 2p3d resonant inelastic X-ray scattering (RIXS) we can accurately determine the charge-transfer parameters of CoF(2), CoCl(2), CoBr(2), and CoS. The 160 meV resolution RIXS results are compared with charge-transfer multiplet calculations. The improved resolution and the direct observation of the crystal field and charge-transfer excitations allow the determination of more accurate parameters than could be derived from X-ray absorption and X-ray photoemission, both limited in resolution by their lifetime broadening. We derive the crystal field and charge-transfer parameters of the Co(2+) ions, which provides the nature of the ground state of the Co(2+) ions with respect to symmetry and hybridization. In addition, the increased spectral resolution allows the more accurate determination of the atomic Slater integrals. The results show that the crystal field energy decreases with increasing ligand covalency. The L(2) edge RIXS spectra show that the intensity of the (Coster–Kronig induced) nonresonant X-ray emission is a measure of ligand covalency. American Chemical Society 2017-10-27 2017-11-16 /pmc/articles/PMC5694969/ /pubmed/29170686 http://dx.doi.org/10.1021/acs.jpcc.7b06882 Text en Copyright © 2017 American Chemical Society This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License (http://pubs.acs.org/page/policy/authorchoice_ccbyncnd_termsofuse.html) , which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes.
spellingShingle Wang, Ru-Pan
Liu, Boyang
Green, Robert J.
Delgado-Jaime, Mario Ulises
Ghiasi, Mahnaz
Schmitt, Thorsten
van Schooneveld, Matti M.
de Groot, Frank M. F.
Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides
title Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides
title_full Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides
title_fullStr Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides
title_full_unstemmed Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides
title_short Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides
title_sort charge-transfer analysis of 2p3d resonant inelastic x-ray scattering of cobalt sulfide and halides
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5694969/
https://www.ncbi.nlm.nih.gov/pubmed/29170686
http://dx.doi.org/10.1021/acs.jpcc.7b06882
work_keys_str_mv AT wangrupan chargetransferanalysisof2p3dresonantinelasticxrayscatteringofcobaltsulfideandhalides
AT liuboyang chargetransferanalysisof2p3dresonantinelasticxrayscatteringofcobaltsulfideandhalides
AT greenrobertj chargetransferanalysisof2p3dresonantinelasticxrayscatteringofcobaltsulfideandhalides
AT delgadojaimemarioulises chargetransferanalysisof2p3dresonantinelasticxrayscatteringofcobaltsulfideandhalides
AT ghiasimahnaz chargetransferanalysisof2p3dresonantinelasticxrayscatteringofcobaltsulfideandhalides
AT schmittthorsten chargetransferanalysisof2p3dresonantinelasticxrayscatteringofcobaltsulfideandhalides
AT vanschooneveldmattim chargetransferanalysisof2p3dresonantinelasticxrayscatteringofcobaltsulfideandhalides
AT degrootfrankmf chargetransferanalysisof2p3dresonantinelasticxrayscatteringofcobaltsulfideandhalides