Influence of anti-site disorder and electron-electron correlations on the electronic structure of CeMnNi$_4$
Abstract
CeMnNi$_4$ 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 3$d$ ($U_{Ni}$) and Mn 3$d$ ($U_{Mn}$) electrons in explaining the valence band of this multiply correlated material. We show that Mn-Ni anti-site disorder as well as $U_{Ni}$ play crucial role in enhancing its spin polarization: anti-site disorder broadens a Ni 3$d$ minority-spin peak close to the Fermi level ($E_F$), while an increase in $U_{Ni}$ shifts it towards $E_F$, both leading to a significant increase of minority-spin states at $E_F$. Furthermore, 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.
- Publication:
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arXiv e-prints
- Pub Date:
- October 2018
- DOI:
- 10.48550/arXiv.1810.02175
- arXiv:
- arXiv:1810.02175
- Bibcode:
- 2018arXiv181002175S
- Keywords:
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- Condensed Matter - Materials Science
- E-Print:
- Manuscript and Supplementary material, 13 pages, 17 figures