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Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2
http://hdl.handle.net/10228/00008756
http://hdl.handle.net/10228/00008756e06d5319-2061-4fb9-b0cc-54096c72b307
| 名前 / ファイル | ライセンス | アクション |
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PhysRevB.100.205138.pdf (1.9 MB)
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| Item type | 学術雑誌論文 = Journal Article(1) | |||||||||||||
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| 公開日 | 2022-03-08 | |||||||||||||
| 資源タイプ | ||||||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||||
| 資源タイプ | journal article | |||||||||||||
| タイトル | ||||||||||||||
| タイトル | Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2 | |||||||||||||
| その他のタイトル | ||||||||||||||
| その他のタイトル | Formation of 2D single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2 | |||||||||||||
| 言語 | ||||||||||||||
| 言語 | eng | |||||||||||||
| 著者 |
Nomura, Yusuke
× Nomura, Yusuke× Hirayama, Motoaki× Tadano, Terumasa× Yoshimoto, Yoshihide× 中村, 和磨
WEKO
20202
× Arita, Ryotaro |
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| 抄録 | ||||||||||||||
| 内容記述タイプ | Abstract | |||||||||||||
| 内容記述 | Motivated by the recent experimental discovery of superconductivity in the infinite-layer nickelate Nd0.8Sr0.2NiO2 [Li et al., Nature (London) 572, 624 (2019)], we study how the correlated Ni 3dx2−y2 electrons in the NiO2 layer interact with the electrons in the Nd layer. We show that three orbitals are necessary to represent the electronic structure around the Fermi level: Ni 3dx2−y2, Nd 5d3z2−r2, and a bonding orbital made from an interstitial s orbital in the Nd layer and the Nd 5dxy orbital. By constructing a three-orbital model for these states, we find that the hybridization between the Ni 3dx2−y2 state and the states in the Nd layer is tiny. We also find that the metallic screening by the Nd layer is not so effective in that it reduces the Hubbard U between the Ni 3dx2−y2 electrons just by 10%–20%. On the other hand, the electron-phonon coupling is not strong enough to mediate superconductivity of Tc∼10 K. These results indicate that NdNiO2 hosts an almost isolated correlated 3dx2−y2 orbital system. We further study the possibility of realizing a more ideal single-orbital system in the Mott-Hubbard regime. We find that the Fermi pockets formed by the Nd-layer states dramatically shrink when the hybridization between the interstitial s state and Nd 5dxy state becomes small. By an extensive materials search, we find that the Fermi pockets almost disappear in NaNd2NiO4 and NaCa2NiO3. | |||||||||||||
| 書誌情報 |
Physical review B 巻 100, p. 205138, 発行日 2019-11-26 |
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| 出版社 | ||||||||||||||
| 出版者 | American Physical Society | |||||||||||||
| DOI | ||||||||||||||
| 関連タイプ | isVersionOf | |||||||||||||
| 識別子タイプ | DOI | |||||||||||||
| 関連識別子 | https://doi.org/10.1103/PhysRevB.100.205138 | |||||||||||||
| 日本十進分類法 | ||||||||||||||
| 主題Scheme | NDC | |||||||||||||
| 主題 | 428 | |||||||||||||
| NCID | ||||||||||||||
| 収録物識別子タイプ | NCID | |||||||||||||
| 収録物識別子 | AA11187113 | |||||||||||||
| ISSN | ||||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||||
| 収録物識別子 | 2469-9950 | |||||||||||||
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| 収録物識別子タイプ | ISSN | |||||||||||||
| 収録物識別子 | 2469-9969 | |||||||||||||
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| 収録物識別子タイプ | ISSN | |||||||||||||
| 収録物識別子 | 1538-4489 | |||||||||||||
| 著作権関連情報 | ||||||||||||||
| 権利情報 | Copyright (c) 2019 American Physical Society | |||||||||||||
| 出版タイプ | ||||||||||||||
| 出版タイプ | AM | |||||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||||||||||
| 査読の有無 | ||||||||||||||
| 値 | yes | |||||||||||||
| 研究者情報 | ||||||||||||||
| URL | https://hyokadb02.jimu.kyutech.ac.jp/html/100000601_ja.html | |||||||||||||
| 連携ID | ||||||||||||||
| 値 | 10167 | |||||||||||||
