{"created":"2023-05-15T12:00:39.339060+00:00","id":7553,"links":{},"metadata":{"_buckets":{"deposit":"b2c544e4-8141-4326-841e-56036d8f3b86"},"_deposit":{"created_by":3,"id":"7553","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"7553"},"status":"published"},"_oai":{"id":"oai:kyutech.repo.nii.ac.jp:00007553","sets":["8:9"]},"author_link":["32610","20202","32613","32611","32609","32608"],"item_21_alternative_title_18":{"attribute_name":"その他のタイトル","attribute_value_mlt":[{"subitem_alternative_title":"Formation of 2D single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2"}]},"item_21_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2019-11-26","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"205138","bibliographicVolumeNumber":"100","bibliographic_titles":[{"bibliographic_title":"Physical review B"}]}]},"item_21_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"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.","subitem_description_type":"Abstract"}]},"item_21_description_60":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"Journal Article","subitem_description_type":"Other"}]},"item_21_link_62":{"attribute_name":"研究者情報","attribute_value_mlt":[{"subitem_link_url":"https://hyokadb02.jimu.kyutech.ac.jp/html/100000601_ja.html"}]},"item_21_publisher_7":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"American Physical Society"}]},"item_21_relation_12":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1103/PhysRevB.100.205138","subitem_relation_type_select":"DOI"}}]},"item_21_rights_13":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright (c) 2019 American Physical Society"}]},"item_21_select_59":{"attribute_name":"査読の有無","attribute_value_mlt":[{"subitem_select_item":"yes"}]},"item_21_source_id_10":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA11187113 ","subitem_source_identifier_type":"NCID"}]},"item_21_source_id_8":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"2469-9950","subitem_source_identifier_type":"ISSN"},{"subitem_source_identifier":"2469-9969","subitem_source_identifier_type":"ISSN"},{"subitem_source_identifier":"1538-4489","subitem_source_identifier_type":"ISSN"}]},"item_21_subject_16":{"attribute_name":"日本十進分類法","attribute_value_mlt":[{"subitem_subject":"428","subitem_subject_scheme":"NDC"}]},"item_21_text_36":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"RIKEN Center for Emergent Matter Science"},{"subitem_text_value":"RIKEN Center for Emergent Matter Science"},{"subitem_text_value":"National Institute for Materials Science"},{"subitem_text_value":"The University of Tokyo"},{"subitem_text_value":"Kyushu Institute of Technology"},{"subitem_text_value":"RIKEN Center for Emergent Matter Science, The University of Tokyo"}]},"item_21_text_63":{"attribute_name":"連携ID","attribute_value_mlt":[{"subitem_text_value":"10167"}]},"item_21_version_type_58":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Nomura,  Yusuke"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Hirayama,  Motoaki"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Tadano,  Terumasa"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yoshimoto,  Yoshihide"}],"nameIdentifiers":[{}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[],"affiliationNames":[{"affiliationName":""}]}],"creatorNames":[{"creatorName":"Nakamura, Kazuma","creatorNameLang":"en"},{"creatorName":"中村, 和磨","creatorNameLang":"ja"},{"creatorName":"ナカムラ, カズマ","creatorNameLang":"ja-Kana"}],"familyNames":[{},{},{}],"givenNames":[{},{},{}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"Arita,  Ryotaro"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2022-03-08"}],"displaytype":"detail","filename":"PhysRevB.100.205138.pdf","filesize":[{"value":"1.9 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"PhysRevB.100.205138.pdf","url":"https://kyutech.repo.nii.ac.jp/record/7553/files/PhysRevB.100.205138.pdf"},"version_id":"a89e7193-88b3-40fe-aca1-d26cf2faec03"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2"}]},"item_type_id":"21","owner":"3","path":["9"],"pubdate":{"attribute_name":"公開日","attribute_value":"2022-03-08"},"publish_date":"2022-03-08","publish_status":"0","recid":"7553","relation_version_is_last":true,"title":["Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2024-04-02T08:41:15.123196+00:00"}