Valence band hard x-ray photoelectron spectroscopy on transition-metal oxides containing rare-earth elementsValence band hard x-ray photoelectron spectroscopy on transition-metal oxides containing rare-earth elements
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F19%3A43956611" target="_blank" >RIV/49777513:23640/19:43956611 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11025/36127" target="_blank" >http://hdl.handle.net/11025/36127</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.99.165101" target="_blank" >10.1103/PhysRevB.99.165101</a>
Alternative languages
Result language
angličtina
Original language name
Valence band hard x-ray photoelectron spectroscopy on transition-metal oxides containing rare-earth elementsValence band hard x-ray photoelectron spectroscopy on transition-metal oxides containing rare-earth elements
Original language description
Here we report on our study to quantitatively describe the intensities of the valence band hard x-ray photoemission spectra (HAXPES) of a rare earth element containing 3d transition metal oxides. Using LaCoO3 as a representative model compound, we compared the experimental data to the results of ab initio one-step photoemission band structure calculations as well as to the sum of the partial density of states of the atomic constituents weighted by their tabulated photoionization cross sections. We discovered that the semicore La 5p density of states surprisingly contributes in a significant manner to the valence band spectrum: Although the La 5p partial density of states in the valence band region is negligible compared to that of the O 2p or the Co 3d, the La 5p cross section in the hard x-ray range is found to be orders of magnitude larger than that of the other subshells. This explains the long-standing issue of why the hard x-ray valence band spectra of a rare-earth element containing materials have line shapes that are very different from those taken at lower photon energies and why they cannot be described in terms of partial density of states of the subshells usually considered for the lower photon energy spectra. We infer that the contribution of the rare-earth 5p must be taken into account and cannot be ignored.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/EF15_003%2F0000358" target="_blank" >EF15_003/0000358: Computational and Experimental Design of Advanced Materials with New Functionalities</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
—
Volume of the periodical
99
Issue of the periodical within the volume
16
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
"NESTRÁNKOVÁNO"
UT code for WoS article
000463886600001
EID of the result in the Scopus database
2-s2.0-85064121182