{"created":"2022-01-28T01:17:41.216119+00:00","id":2005624,"links":{},"metadata":{"_buckets":{"deposit":"02cba262-4482-4a44-bb3e-d1a31ad23d7b"},"_deposit":{"id":"2005624","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"2005624"},"status":"published"},"_oai":{"id":"oai:u-ryukyu.repo.nii.ac.jp:02005624","sets":["1642838403123","1642838403551:1642838406414"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_1551255647225":"結晶場効果を取り入れた相対論的バンド計算による二酸化アクチノイドの電子構造の解明","subitem_1551255648112":"ja"},{"subitem_1551255647225":"Investigation on the electronic structure of the actinide dioxide by the relativistic band calculation incorporating the effect of CEF potential.","subitem_1551255648112":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"眞榮平, 孝裕","creatorNameLang":"ja"}]},{"creatorNames":[{"creatorName":"堀田, 貴嗣","creatorNameLang":"ja"}]},{"creatorNames":[{"creatorName":"Maehira, Takahiro","creatorNameLang":"en"}]},{"creatorNames":[{"creatorName":"Hotta, Takashi","creatorNameLang":"en"}]}]},"item_1617186476635":{"attribute_name":"Access Rights","attribute_value_mlt":[{"subitem_1522299639480":"open access","subitem_1600958577026":"http://purl.org/coar/access_right/c_abf2"}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_1522299896455":"ja","subitem_1522300014469":"Other","subitem_1523261968819":"二酸化アクチノイド"},{"subitem_1522299896455":"ja","subitem_1522300014469":"Other","subitem_1523261968819":"相対論的バンド計算"},{"subitem_1522299896455":"ja","subitem_1522300014469":"Other","subitem_1523261968819":"結晶場"},{"subitem_1522299896455":"ja","subitem_1522300014469":"Other","subitem_1523261968819":"f電子系"},{"subitem_1522299896455":"ja","subitem_1522300014469":"Other","subitem_1523261968819":"電子相関"},{"subitem_1522299896455":"ja","subitem_1522300014469":"Other","subitem_1523261968819":"磁性"},{"subitem_1522299896455":"ja","subitem_1522300014469":"Other","subitem_1523261968819":"超ウラン化合物"},{"subitem_1522299896455":"ja","subitem_1522300014469":"Other","subitem_1523261968819":"j-j結合"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"科研費番号: 19540372","subitem_description_type":"Other"},{"subitem_description":"2007年度～2009年度科学研究費補助金（基盤研究(Ｃ)）研究成果報告書","subitem_description_type":"Other"},{"subitem_description":"研究概要（和文）：本研究課題の主要目的は、二酸化アクチノイドに関連する強相関現象の解明と、結晶場効果を取り入れた相対論的バンド計算方法の開発である。二酸化アクチノイド化合物AnO_2(An=U, Np, Pu, Am)は、局所密度近似(LDA)の基でのバンド計算にて理解されるはずであるが、実際にはLDAの基礎とした計算では半導体の電子構造を再現することは容易ではない。蛍石型構造をもつ二酸化アクチノイドの結晶場基底状態は、Γ8レベルが下、Γ7レベルが上にあると考えるのが自然であるが、LDAの下でのバンド計算では、Γ8とΓ7の順序が逆転した結果となってしまう。そこで、この様な矛盾が起こらないようバンド計算に結晶場(CEF)効果を陽に取り込んだ方法を提案した。RLAPW法とCEF方法の組み合わせによるバンド計算プログラムを開発し、二酸化アクチノイドについて適用した。結晶場効果を取り入れた計算方法は、二酸化アクチノイド化合物の電子状態を考える上での1つの方法として、有効であることがわかった。","subitem_description_type":"Other"},{"subitem_description":"研究概要（英文） : The main purposes of this project were to study related actinide dioxide of strongly correlated electron systems, and to development the relativistic band calculation based on the effect of crystalline electric field potential. The electronic structure of AnO_2(An=U, Np, Pu, Am) is simply understood with the use of an appropriate band-structure calculation technique in a local density approximation (LDA), but in actuality, it is not so easy to reproduce correctly semiconducting behavior in the LDA. Since in the fluorite structure of actinide dioxide with cubic symmetry, Γ7 level should be lower than Γ8 one in the LDA approach, we do not obtain the Γ1 singlet ground state for AnO_2, when we simply accommodate four f electrons in such a level scheme. In order to improve the situation, we proposed a new idea to consider explicitly the effect of crystalline electric field (CEF) potential in the band-structure calculation with the LDA. The relativistic band calculation program was developed by the combination of the RLAPW and the CEF method. The method was applied to actinide dioxides. Thus our strategy to study the actinide dioxide in strongly correlated electron systems is shown to be useful and has been developed.","subitem_description_type":"Other"},{"subitem_description":"研究報告書","subitem_description_type":"Other"}]},"item_1617186643794":{"attribute_name":"Publisher","attribute_value_mlt":[{"subitem_1522300295150":"ja","subitem_1522300316516":"眞榮平孝裕"}]},"item_1617186702042":{"attribute_name":"Language","attribute_value_mlt":[{"subitem_1551255818386":"jpn"}]},"item_1617186783814":{"attribute_name":"Identifier","attribute_value_mlt":[{"subitem_identifier_type":"HDL","subitem_identifier_uri":"http://hdl.handle.net/20.500.12000/17790"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2010-06-01","bibliographicIssueDateType":"Issued"}}]},"item_1617258105262":{"attribute_name":"Resource Type","attribute_value_mlt":[{"resourcetype":"research report","resourceuri":"http://purl.org/coar/resource_type/c_18ws"}]},"item_1617265215918":{"attribute_name":"Version Type","attribute_value_mlt":[{"subitem_1522305645492":"AM","subitem_1600292170262":"http://purl.org/coar/version/c_ab4af688f83e57aa"}]},"item_1617605131499":{"attribute_name":"File","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_access","filename":"19540372seika.pdf","mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://u-ryukyu.repo.nii.ac.jp/record/2005624/files/19540372seika.pdf"},"version_id":"e743fc9c-3c23-4eec-ad5b-675f5c91282d"}]},"item_title":"結晶場効果を取り入れた相対論的バンド計算による二酸化アクチノイドの電子構造の解明","item_type_id":"15","owner":"1","path":["1642838403123","1642838406414"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2010-08-06"},"publish_date":"2010-08-06","publish_status":"0","recid":"2005624","relation_version_is_last":true,"title":["結晶場効果を取り入れた相対論的バンド計算による二酸化アクチノイドの電子構造の解明"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2022-10-31T02:49:23.818855+00:00"}