XPS, UPS, and BIS study of pure and alloyed β-UH3 films: Electronic structure, bonding, and magnetism

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F20%3A00539067" target="_blank" >RIV/68378271:_____/20:00539067 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1016/j.elspec.2019.146904" target="_blank" >https://doi.org/10.1016/j.elspec.2019.146904</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.elspec.2019.146904" target="_blank" >10.1016/j.elspec.2019.146904</a>

Jazyk výsledku

angličtina

Název v původním jazyce

XPS, UPS, and BIS study of pure and alloyed β-UH3 films: Electronic structure, bonding, and magnetism

Popis výsledku v původním jazyce

Uranium hydride films with the β-UH3 structure were successfully synthesized using reactive sputter deposition. Their composition can be modified, if cooling the substrate to 177 K, by incorporating Mo as alloying element, in analogy to bulk nanocrystalline (UH3)-Mo hydrides. The films were in detail studied by in situ XPS (4f, 5d, 6p, valence band), valence-band UPS, and BIS, revealing variations of electronic structure with respect to U metal, confronted with ab initio calculations. Although large scale features of the band structure are consistently explained and 5f states remain at the Fermi level EF, spectral features close to EF are not well reproduced by DFT or DFT+U calculations. This situation suggests prominence of electron-electron correlations affecting spectral function in the conditions of intermediate 5f localization.

Název v anglickém jazyce

XPS, UPS, and BIS study of pure and alloyed β-UH3 films: Electronic structure, bonding, and magnetism

Popis výsledku anglicky

Uranium hydride films with the β-UH3 structure were successfully synthesized using reactive sputter deposition. Their composition can be modified, if cooling the substrate to 177 K, by incorporating Mo as alloying element, in analogy to bulk nanocrystalline (UH3)-Mo hydrides. The films were in detail studied by in situ XPS (4f, 5d, 6p, valence band), valence-band UPS, and BIS, revealing variations of electronic structure with respect to U metal, confronted with ab initio calculations. Although large scale features of the band structure are consistently explained and 5f states remain at the Fermi level EF, spectral features close to EF are not well reproduced by DFT or DFT+U calculations. This situation suggests prominence of electron-electron correlations affecting spectral function in the conditions of intermediate 5f localization.

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/GA18-02344S" target="_blank" >GA18-02344S: Magnetismus a elektronová struktura v systémech na bázi uranu s nábojovým transferem</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Journal of Electron Spectroscopy and Related Phenomena

ISSN

0368-2048

e-ISSN

—

Svazek periodika

239

Číslo periodika v rámci svazku

Feb

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

1-8

Kód UT WoS článku

000518705400003

EID výsledku v databázi Scopus

2-s2.0-85075318149