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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F20%3A10411141" target="_blank" >RIV/00216208:11320/20:10411141 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27740/20:10244881

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=016pyMUo~-" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=016pyMUo~-</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 beta-UH3 films: Electronic structure, bonding, and magnetism

Popis výsledku v původním jazyce

Uranium hydride films with the beta-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. We could identify certain ionicity in the U-H bonding projected in a large shift of the 6p peaks to higher binding energies. The U-6d states partly shift above the Fermi level and partly hybridize with the H-1s states, which weakens the 5f-6d hybridization. Although large scale features of the band structure are consistently explained and 5f states remain at the Fermi level E-F, spectral features close to E-F 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 beta-UH3 films: Electronic structure, bonding, and magnetism

Popis výsledku anglicky

Uranium hydride films with the beta-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. We could identify certain ionicity in the U-H bonding projected in a large shift of the 6p peaks to higher binding energies. The U-6d states partly shift above the Fermi level and partly hybridize with the H-1s states, which weakens the 5f-6d hybridization. Although large scale features of the band structure are consistently explained and 5f states remain at the Fermi level E-F, spectral features close to E-F 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

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

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

únor

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

146904

Kód UT WoS článku

000518705400003

EID výsledku v databázi Scopus

2-s2.0-85075318149