Observation of Electride-like $s$ States Coexisting with Correlated $d$ Electrons in NdNiO$_2$

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Main Authors: Li, Chihao, Chen, Yutong, Ding, Xiang, Zhuang, Yezhao, Guo, Nan, Chen, Zhihui, Fan, Yu, Ye, Jiahao, An, Zhitong, Sangphet, Suppanut, Tang, Shenglin, Wang, Xiaoxiao, Huang, Hai, Xu, Haichao, Feng, Donglai, Peng, Rui
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Published: 2025
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author Li, Chihao
Chen, Yutong
Ding, Xiang
Zhuang, Yezhao
Guo, Nan
Chen, Zhihui
Fan, Yu
Ye, Jiahao
An, Zhitong
Sangphet, Suppanut
Tang, Shenglin
Wang, Xiaoxiao
Huang, Hai
Xu, Haichao
Feng, Donglai
Peng, Rui
author_facet Li, Chihao
Chen, Yutong
Ding, Xiang
Zhuang, Yezhao
Guo, Nan
Chen, Zhihui
Fan, Yu
Ye, Jiahao
An, Zhitong
Sangphet, Suppanut
Tang, Shenglin
Wang, Xiaoxiao
Huang, Hai
Xu, Haichao
Feng, Donglai
Peng, Rui
contents Despite exhibiting a similar $d_{x^2-y^2}$ band character to cuprates, infinite-layer nickelates host additional electron pockets that distinguish them from single-band cuprates. The elusive orbital origin of these electron pockets has led to competing theoretical scenarios. Here, using polarization-dependent and resonant angle-resolved photoemission spectroscopy (ARPES), we determine the orbital character of the Fermi surfaces in NdNiO$_2$. Our data reveal that the electron-like pocket arises predominantly from interstitial $s$ states, with negligible contributions from rare-earth 5$d$ and 4$f$ orbitals near the Fermi level. The observation of well-defined quantum well states indicates a uniform distribution of these interstitial electrons throughout the film thickness. By comparing with electronic structure of LaNiO$_2$, we find that the rare-earth element modulates the Ni-derived bands and hopping integrals through a chemical pressure effect. These findings clarify the role of rare-earth elements in shaping the low-energy electronic structure and establish the presence of electride-like interstitial $s$ states in a correlated oxide system, where electrons occupy lattice voids rather than atomic orbitals. The electride-like character offer new insight into the self-doping and superconductivity in infinite-layer nickelates.
format Preprint
id arxiv_https___arxiv_org_abs_2507_04378
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Observation of Electride-like $s$ States Coexisting with Correlated $d$ Electrons in NdNiO$_2$
Li, Chihao
Chen, Yutong
Ding, Xiang
Zhuang, Yezhao
Guo, Nan
Chen, Zhihui
Fan, Yu
Ye, Jiahao
An, Zhitong
Sangphet, Suppanut
Tang, Shenglin
Wang, Xiaoxiao
Huang, Hai
Xu, Haichao
Feng, Donglai
Peng, Rui
Superconductivity
Materials Science
Strongly Correlated Electrons
82D55
Despite exhibiting a similar $d_{x^2-y^2}$ band character to cuprates, infinite-layer nickelates host additional electron pockets that distinguish them from single-band cuprates. The elusive orbital origin of these electron pockets has led to competing theoretical scenarios. Here, using polarization-dependent and resonant angle-resolved photoemission spectroscopy (ARPES), we determine the orbital character of the Fermi surfaces in NdNiO$_2$. Our data reveal that the electron-like pocket arises predominantly from interstitial $s$ states, with negligible contributions from rare-earth 5$d$ and 4$f$ orbitals near the Fermi level. The observation of well-defined quantum well states indicates a uniform distribution of these interstitial electrons throughout the film thickness. By comparing with electronic structure of LaNiO$_2$, we find that the rare-earth element modulates the Ni-derived bands and hopping integrals through a chemical pressure effect. These findings clarify the role of rare-earth elements in shaping the low-energy electronic structure and establish the presence of electride-like interstitial $s$ states in a correlated oxide system, where electrons occupy lattice voids rather than atomic orbitals. The electride-like character offer new insight into the self-doping and superconductivity in infinite-layer nickelates.
title Observation of Electride-like $s$ States Coexisting with Correlated $d$ Electrons in NdNiO$_2$
topic Superconductivity
Materials Science
Strongly Correlated Electrons
82D55
url https://arxiv.org/abs/2507.04378