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

Result code in 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>
Result on the web
<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>

Result language
angličtina
Original language name
Role of antisite disorder, electron-electron correlations, and a surface valence transition in the electronic structure of CeMnNi4
Original language description
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'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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/EF15_003%2F0000358" target="_blank" >EF15_003/0000358: Computational and Experimental Design of Advanced Materials with New Functionalities</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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