Role of antisite disorder, electron-electron correlations, and a surface valence transition in the electronic structure of CeMnNi4

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F19%3A43962222" target="_blank" >RIV/49777513:23640/19:43962222 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1103/PhysRevB.99.035102" target="_blank" >https://doi.org/10.1103/PhysRevB.99.035102</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.99.035102" target="_blank" >10.1103/PhysRevB.99.035102</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Role of antisite disorder, electron-electron correlations, and a surface valence transition in the electronic structure of CeMnNi4

Popis výsledku v původním jazyce

CeMnNi4 exhibits an unusually large spin polarization, but its origin has baffled researchers for more than a decade. We use bulk sensitive hard x-ray photoelectron spectroscopy (HAXPES) and density functional theory based on the Green&apos;s function technique to demonstrate the importance of electron-electron correlations of both the Ni 3d (U-Ni) and Mn 3d (U-mn) electrons in explaining the valence band of this multiply correlated material. We show that Mn-Ni antisite disorder as well as U Ni play a crucial role in enhancing its spin polarization: Antisite disorder broadens a Ni 3d minority-spin peak close to the Fermi level (E-F), while an increase in U-Ni shifts it toward E-F, both leading to a significant increase of minority-spin states at E-F. Furthermore, the rare occurrence of a valence state transition between the bulk and the surface is demonstrated highlighting the importance of HAXPES in resolving the electronic structure of materials unhindered by surface effects.

Název v anglickém jazyce

Role of antisite disorder, electron-electron correlations, and a surface valence transition in the electronic structure of CeMnNi4

Popis výsledku anglicky

CeMnNi4 exhibits an unusually large spin polarization, but its origin has baffled researchers for more than a decade. We use bulk sensitive hard x-ray photoelectron spectroscopy (HAXPES) and density functional theory based on the Green&apos;s function technique to demonstrate the importance of electron-electron correlations of both the Ni 3d (U-Ni) and Mn 3d (U-mn) electrons in explaining the valence band of this multiply correlated material. We show that Mn-Ni antisite disorder as well as U Ni play a crucial role in enhancing its spin polarization: Antisite disorder broadens a Ni 3d minority-spin peak close to the Fermi level (E-F), while an increase in U-Ni shifts it toward E-F, both leading to a significant increase of minority-spin states at E-F. Furthermore, the rare occurrence of a valence state transition between the bulk and the surface is demonstrated highlighting the importance of HAXPES in resolving the electronic structure of materials unhindered by surface effects.

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

3

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

—

Kód UT WoS článku

000454766400002

EID výsledku v databázi Scopus

2-s2.0-85059910848