Valency, charge-transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7
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arXiv
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| Autori principali: | , , , , , , , , , , , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| author | Takegami, Daisuke Okauchi, Takaki Morales, Edgar Abarca Fujinuma, Kouto Furo, Mizuki Yoshimura, Masato Tsuei, Ku-Ding Pan, Grace A. Segedin, Dan Ferenc Song, Qi Paik, Hanjong Brooks, Charles M. Mundy, Julia A. Mizokawa, Takashi Tjeng, Liu Hao Goodge, Berit H. Hariki, Atsushi |
| author_facet | Takegami, Daisuke Okauchi, Takaki Morales, Edgar Abarca Fujinuma, Kouto Furo, Mizuki Yoshimura, Masato Tsuei, Ku-Ding Pan, Grace A. Segedin, Dan Ferenc Song, Qi Paik, Hanjong Brooks, Charles M. Mundy, Julia A. Mizokawa, Takashi Tjeng, Liu Hao Goodge, Berit H. Hariki, Atsushi |
| contents | We examine the bulk electronic structure of Nd3Ni2O7 using Ni 2p core-level hard x-ray photoemission spectroscopy combined with density functional theory + dynamical mean-field theory. Our results reveal a large deviation of the Ni 3d occupation from the formal Ni2.5+ valency, highlighting the importance of the charge-transfer from oxygen ligands. We find that the dominant d8 configuration is accompanied by nearly equal contributions from d7 and d9 states, exhibiting an unusual valence state among Ni-based oxides. Finally, we discuss the Ni dx2-y2 and dz2 orbital-dependent hybridization, correlation and local spin dynamics. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2502_11327 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Valency, charge-transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7 Takegami, Daisuke Okauchi, Takaki Morales, Edgar Abarca Fujinuma, Kouto Furo, Mizuki Yoshimura, Masato Tsuei, Ku-Ding Pan, Grace A. Segedin, Dan Ferenc Song, Qi Paik, Hanjong Brooks, Charles M. Mundy, Julia A. Mizokawa, Takashi Tjeng, Liu Hao Goodge, Berit H. Hariki, Atsushi Strongly Correlated Electrons We examine the bulk electronic structure of Nd3Ni2O7 using Ni 2p core-level hard x-ray photoemission spectroscopy combined with density functional theory + dynamical mean-field theory. Our results reveal a large deviation of the Ni 3d occupation from the formal Ni2.5+ valency, highlighting the importance of the charge-transfer from oxygen ligands. We find that the dominant d8 configuration is accompanied by nearly equal contributions from d7 and d9 states, exhibiting an unusual valence state among Ni-based oxides. Finally, we discuss the Ni dx2-y2 and dz2 orbital-dependent hybridization, correlation and local spin dynamics. |
| title | Valency, charge-transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7 |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2502.11327 |