{"created":"2023-07-27T07:00:42.855080+00:00","id":60739,"links":{},"metadata":{"_buckets":{"deposit":"3f9616bf-fcb3-4d69-a336-20856dabb10b"},"_deposit":{"created_by":18,"id":"60739","owners":[18],"pid":{"revision_id":0,"type":"depid","value":"60739"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00060739","sets":["4162:4169:4188"]},"author_link":["106502","3007"],"item_4_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2022-11-01","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"108487","bibliographicVolumeNumber":"280","bibliographic_titles":[{"bibliographic_title":"Computer Physics Communications"}]}]},"item_4_creator_33":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"山口, 直也"}],"nameIdentifiers":[{},{}]},{"creatorNames":[{"creatorName":"石井, 史之"}],"nameIdentifiers":[{},{},{},{}]}]},"item_4_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We propose a linear-combination-of-pseudo-atomic-orbitals scheme for a finite electric field method based on the modern theory of polarization. We derive the matrix elements of the effective potential for the static and homogeneous field and the corresponding terms of the forces on atoms. In addition, we successfully evaluated the static and electronic dielectric constants and Born effective charges of typical semiconducting and insulating materials. Our formalism will aid in the study of materials under electric fields.","subitem_description_type":"Abstract"}]},"item_4_description_22":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"Embargo Period 12 months","subitem_description_type":"Other"}]},"item_4_description_5":{"attribute_name":"提供者所属","attribute_value_mlt":[{"subitem_description":"金沢大学ナノマテリアル研究所","subitem_description_type":"Other"}]},"item_4_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00066984","subitem_identifier_reg_type":"JaLC"}]},"item_4_publisher_17":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier B.V. 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(CC-BY-NC-ND)"}]},"item_4_source_id_11":{"attribute_name":"NCID","attribute_value_mlt":[{"subitem_source_identifier":"AA00613344","subitem_source_identifier_type":"NCID"}]},"item_4_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0010-4655","subitem_source_identifier_type":"ISSN"}]},"item_4_version_type_25":{"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":"Yamaguchi, Naoya"}],"nameIdentifiers":[{},{}]},{"creatorNames":[{"creatorName":"Ishii, Fumiyuki"}],"nameIdentifiers":[{},{},{},{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2023-11-02"}],"displaytype":"detail","filename":"FR-PR-YAMAGUCHI-N-108487.pdf","filesize":[{"value":"360.8 kB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"FR-PR-YAMAGUCHI-N-108487.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/60739/files/FR-PR-YAMAGUCHI-N-108487.pdf"},"version_id":"a0f92127-abbc-4799-9bb6-9c493536ada8"}]},"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":"First-principles LCPAO approach for insulators under finite electric fields with forces","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"First-principles LCPAO approach for insulators under finite electric fields with forces"}]},"item_type_id":"4","owner":"18","path":["4188"],"pubdate":{"attribute_name":"公開日","attribute_value":"2022-08-22"},"publish_date":"2022-08-22","publish_status":"0","recid":"60739","relation_version_is_last":true,"title":["First-principles LCPAO approach for insulators under finite electric fields with forces"],"weko_creator_id":"18","weko_shared_id":-1},"updated":"2023-07-27T10:29:35.994807+00:00"}