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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EF15_003%2F0000358" target="_blank" >EF15_003/0000358: Výpočetní a experimentální design pokročilých materiálů s novými funkcionalitami</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

—

Svazek periodika

99

Číslo periodika v rámci svazku

16

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

"NESTRÁNKOVÁNO"

Kód UT WoS článku

000463886600001

EID výsledku v databázi Scopus

2-s2.0-85064121182