{"created":"2023-06-19T11:45:05.228616+00:00","id":15305,"links":{},"metadata":{"_buckets":{"deposit":"1d65a1aa-e679-4296-9700-2a14c7bfc198"},"_deposit":{"created_by":15,"id":"15305","owners":[15],"pid":{"revision_id":0,"type":"depid","value":"15305"},"status":"published"},"_oai":{"id":"oai:mie-u.repo.nii.ac.jp:00015305","sets":["366:680:1692685258258"]},"author_link":["50658","50659","50660","50661","50662","50663"],"item_8_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2021-06-22","bibliographicIssueDateType":"Issued"}}]},"item_8_description_14":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_8_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"格子欠陥、表面・界面、ナノ構造を”特異構造”として統一的に位置づけ、表面・界面を“場”として形成される“特異構造”に至る一連の過程を計算科学の立場から理論的に検討した。特異構造を包括的に取り扱うために、温度、圧力を考慮した量子論的アプローチを基盤として、各種計算手法を独自開発した。これら計算手法を窒化物半導体を中心とした化合物半導体に適用し、現実の成長条件を反映した表面構造、不純物原子取り込み、極性反転、原子層薄膜形成、量子ドット形成、ナノワイヤ形状等について特異構造物性も含めて検討を行った。得られた知見から支配因子を抽出することで特異構造創成指針を明らかにした。","subitem_description_type":"Abstract"},{"subitem_description":"Singularity structures including various lattice defects and nano-structures are systematically investigated from the computational materials science viewpoints. To this end, many computational methods are newly developed in addition to the ab initio-based approach incorporating growth conditions such as temperature and beam-equivalent pressure. Using these computational methods, singularity structure formation and its properties, such as surface reconstruction, dislocation, impurity, polarity, nanowire, quantum dot, and two-dimensional materials for compound semiconductors (mainly III-N compounds), are successfully clarified under the realistic growth conditions. On the basis of the results obtained in this study, crucial factors for the singularity structure formation are discussed to propose guiding principles for realizing them.","subitem_description_type":"Abstract"}]},"item_8_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"2016年度～2020年度科学研究費補助金(新学術領域研究(研究領域提案型))研究成果報告書","subitem_description_type":"Other"}]},"item_8_description_64":{"attribute_name":"科研費番号","attribute_value_mlt":[{"subitem_description":"16H06418","subitem_description_type":"Other"}]},"item_8_publisher_30":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"三重大学"}]},"item_8_text_31":{"attribute_name":"出版者（ヨミ）","attribute_value_mlt":[{"subitem_text_value":"ミエダイガク"}]},"item_8_text_65":{"attribute_name":"資源タイプ（三重大）","attribute_value_mlt":[{"subitem_text_value":"Kaken / 科研費報告書"}]},"item_8_version_type_15":{"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":"伊藤, 智徳","creatorNameLang":"ja"},{"creatorName":"イトウ, トモノリ","creatorNameLang":"ja-Kana"},{"creatorName":"ITO, Tomonori","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"秋山, 亨","creatorNameLang":"ja"},{"creatorName":"アキヤマ, トオル","creatorNameLang":"ja-Kana"},{"creatorName":"Akiyama, Toru","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"正直, 花奈子","creatorNameLang":"ja"},{"creatorName":"ショウジキ, カナコ","creatorNameLang":"ja-Kana"},{"creatorName":"Shojiki, Kanako","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"河村, 貴宏","creatorNameLang":"ja"},{"creatorName":"カワムラ, タカヒロ","creatorNameLang":"ja-Kana"},{"creatorName":"Kawamura, Takahiro","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"寒川, 義裕","creatorNameLang":"ja"},{"creatorName":"カンガワ, ヨシヒロ","creatorNameLang":"ja-Kana"},{"creatorName":"Kangawa, Yoshihiro","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"平松, 和政","creatorNameLang":"ja"},{"creatorName":"ヒラマツ, カズマサ","creatorNameLang":"ja-Kana"},{"creatorName":"Hiramatsu, Kazumasa","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2022-11-29"}],"displaytype":"detail","filename":"2022RP0066.pdf","filesize":[{"value":"1.4 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"2022RP0066","url":"https://mie-u.repo.nii.ac.jp/record/15305/files/2022RP0066.pdf"},"version_id":"79ce75b1-700c-41a6-968f-8757474af9f8"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"計算科学","subitem_subject_scheme":"Other"},{"subitem_subject":"特異構造","subitem_subject_scheme":"Other"},{"subitem_subject":"窒化物半導体","subitem_subject_scheme":"Other"},{"subitem_subject":"ナノ構造","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"research report","resourceuri":"http://purl.org/coar/resource_type/c_18ws"}]},"item_title":"計算科学によるヘテロボンドの理論的材料設計","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"計算科学によるヘテロボンドの理論的材料設計","subitem_title_language":"ja"},{"subitem_title":"Computational materials design for hetero-bond manipulation","subitem_title_language":"en"}]},"item_type_id":"8","owner":"15","path":["1692685258258"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2022-11-29"},"publish_date":"2022-11-29","publish_status":"0","recid":"15305","relation_version_is_last":true,"title":["計算科学によるヘテロボンドの理論的材料設計"],"weko_creator_id":"15","weko_shared_id":-1},"updated":"2023-11-20T02:11:42.002851+00:00"}