{"created":"2023-06-20T14:24:12.000434+00:00","id":4840,"links":{},"metadata":{"_buckets":{"deposit":"f0343be9-8c1f-4c8c-80e6-1a5a4cb37b8b"},"_deposit":{"created_by":3,"id":"4840","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"4840"},"status":"published"},"_oai":{"id":"oai:aue.repo.nii.ac.jp:00004840","sets":["724:726"]},"author_link":["3859","3860","3858","283"],"item_4_alternative_title_1":{"attribute_name":"その他のタイトル","attribute_value_mlt":[{"subitem_alternative_title":"Mediated resonance effect of the vanadium 3d states on phase stability in the Al8V5 γ-brass studied by first-principles FLAPW and LMTO-ASA electronic structure calculations"}]},"item_4_biblio_info_7":{"attribute_name":"書誌事項","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2006-12-26","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"235119","bibliographicVolumeNumber":"74","bibliographic_titles":[{"bibliographic_title":"Physical Review B"}]}]},"item_4_description_27":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"text","subitem_description_type":"Other"}]},"item_4_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"The mechanism for the stability of the Al_8V_5 γ-brass containing 52 atoms in its cubic unit cell has been investigated by means of first-principles full-potential linearized augmented plane wave (FLAPW) and linearized muffin-tin orbital-atomic sphere approximation (LMTO-ASA) electronic structure calculations.The LMTO-ASA identified a deep valley at 0.5 eV above the Fermi level in its density of states(DOS) as arising from orbital hybridizations between V 3d and Al 3p states. On the other hand, the FLAPW revealed the V 3d states mediated resonance of electrons with different sets of lattice planes. The resonance involved is found to be substantial not only at |G|^2=18 or {330} and {411} zones but also at those in the range 14≼|G|^2≼30. A comparison with the electronic structure of the CsCl-type AlV compound proved that the V 3d states mediated resonance occurs only in Al_8V_5 but not in AlV compound. The V 3d states mediated resonance is proved to result in a significant suppression of the sp-partial DOS over the energy range from the Fermi level up to +2.2 eV. A gain in the electronic energy has been attributed to the formation of highly condensed bonding states below the Fermi level, again caused by the V 3d states mediated resonance. It is also proposed that the Al_8V_5 is stabilizedat e/a= 1.94 rather than 21/13 as is expected from the Hume-Rothery electron concentration rule.","subitem_description_type":"Abstract"}]},"item_4_publisher_8":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"American Physical Society"}]},"item_4_relation_16":{"attribute_name":"関係URI","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"http://dx.doi.org/10.1103/PhysRevB.74.235119"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1103/PhysRevB.74.235119","subitem_relation_type_select":"DOI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"http://link.aps.org/doi/10.1103/PhysRevB.74.235119"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"http://link.aps.org/doi/10.1103/PhysRevB.74.235119","subitem_relation_type_select":"URI"}}]},"item_4_relation_18":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isIdenticalTo","subitem_relation_type_id":{"subitem_relation_type_id_text":"info:doi/10.1103/PhysRevB.74.235119","subitem_relation_type_select":"DOI"}}]},"item_4_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright: 2006 The American Physical Society"}]},"item_4_source_id_11":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA11187113","subitem_source_identifier_type":"NCID"}]},"item_4_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1098-0121","subitem_source_identifier_type":"ISSN"}]},"item_4_text_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"subitem_text_value":"Physical Review B. 2006, 74, 235119."}]},"item_4_text_26":{"attribute_name":"著者別名","attribute_value_mlt":[{"subitem_text_value":"サトウ, ヒロカズ"}]},"item_4_text_4":{"attribute_name":"著者(別言語)","attribute_value_mlt":[{"subitem_text_value":"佐藤, 洋一"}]},"item_4_version_type_14":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Mizutani, U."}],"nameIdentifiers":[{"nameIdentifier":"3860","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Asahi, R."}],"nameIdentifiers":[{"nameIdentifier":"3858","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Sato, H."}],"nameIdentifiers":[{"nameIdentifier":"283","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"20024094","nameIdentifierScheme":"e-Rad","nameIdentifierURI":"https://kaken.nii.ac.jp/ja/search/?qm=20024094"},{"nameIdentifier":"20024094","nameIdentifierScheme":"KAKEN - 研究者検索","nameIdentifierURI":"https://nrid.nii.ac.jp/ja/nrid/1000020024094/"}]},{"creatorNames":[{"creatorName":"Takeuchi, T."}],"nameIdentifiers":[{"nameIdentifier":"3859","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2017-03-28"}],"displaytype":"detail","filename":"satoh001.pdf","filesize":[{"value":"9.4 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"satoh001.pdf","url":"https://aue.repo.nii.ac.jp/record/4840/files/satoh001.pdf"},"version_id":"50730b02-4615-402c-8671-d82b4cbea3af"}]},"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":"Mediated resonance effect of the vanadium 3d states on phase stability in the Al_8V_5 γ-brass studied by first-principles FLAPW and LMTO-ASA electronic structure calculations","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Mediated resonance effect of the vanadium 3d states on phase stability in the Al_8V_5 γ-brass studied by first-principles FLAPW and LMTO-ASA electronic structure calculations","subitem_title_language":"en"}]},"item_type_id":"4","owner":"3","path":["726"],"pubdate":{"attribute_name":"公開日","attribute_value":"2010-04-21"},"publish_date":"2010-04-21","publish_status":"0","recid":"4840","relation_version_is_last":true,"title":["Mediated resonance effect of the vanadium 3d states on phase stability in the Al_8V_5 γ-brass studied by first-principles FLAPW and LMTO-ASA electronic structure calculations"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-06-20T16:48:35.252692+00:00"}