Theory of resonant x-ray emission spectra in compounds with localized f electrons

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F18%3A00489925" target="_blank" >RIV/68378271:_____/18:00489925 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.physb.2017.08.069" target="_blank" >http://dx.doi.org/10.1016/j.physb.2017.08.069</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.physb.2017.08.069" target="_blank" >10.1016/j.physb.2017.08.069</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Theory of resonant x-ray emission spectra in compounds with localized f electrons

Popis výsledku v původním jazyce

A theoretical description of the resonant x-ray emission spectroscopy (RXES) that is based on the Anderson impurity model is discussed. The parameters entering the model are determined from material-specific LDA+DMFT calculations. The theory is applicable across the whole f series, not only in the limits of nearly empty or nearly full valence f shell. Its performance is illustrated on the pressure-enhanced intermediate valency of elemental praseodymium. The obtained results are compared to the usual interpretation of RXES, which assumes that the spectrum is a superposition of several signals, each corresponding to one configuration of the 4f shell. The present theory simplifies to such superposition only if nearly all effects of hybridization of the 4f shell with the surrounding states are neglected. Although the assumption of negligible hybridization sounds reasonable for lanthanides, the explicit calculations show that it substantially distorts the analysis of the RXES data.n

Název v anglickém jazyce

Theory of resonant x-ray emission spectra in compounds with localized f electrons

Popis výsledku anglicky

A theoretical description of the resonant x-ray emission spectroscopy (RXES) that is based on the Anderson impurity model is discussed. The parameters entering the model are determined from material-specific LDA+DMFT calculations. The theory is applicable across the whole f series, not only in the limits of nearly empty or nearly full valence f shell. Its performance is illustrated on the pressure-enhanced intermediate valency of elemental praseodymium. The obtained results are compared to the usual interpretation of RXES, which assumes that the spectrum is a superposition of several signals, each corresponding to one configuration of the 4f shell. The present theory simplifies to such superposition only if nearly all effects of hybridization of the 4f shell with the surrounding states are neglected. Although the assumption of negligible hybridization sounds reasonable for lanthanides, the explicit calculations show that it substantially distorts the analysis of the RXES data.n

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/GC15-05872J" target="_blank" >GC15-05872J: Nanorozměrné magnetické jevy vyvolané elektronovými korelacemi</a><br>

Návaznosti

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

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Physica. B

ISSN

0921-4526

e-ISSN

—

Svazek periodika

536

Číslo periodika v rámci svazku

May

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

695-700

Kód UT WoS článku

000431075600156

EID výsledku v databázi Scopus

2-s2.0-85028459028