{"_buckets": {"deposit": "fdfdc8db-d9b0-4022-b12a-831b6e53f1b6"}, "_deposit": {"created_by": 18, "id": "53546", "owners": [18], "pid": {"revision_id": 0, "type": "depid", "value": "53546"}, "status": "published"}, "_oai": {"id": "oai:kanazawa-u.repo.nii.ac.jp:00053546", "sets": ["2826"]}, "author_link": ["113", "18826"], "item_9_biblio_info_8": {"attribute_name": "書誌情報", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2010-02-03", "bibliographicIssueDateType": "Issued"}, "bibliographicPageStart": "5p.", "bibliographicVolumeNumber": "2005 – 2007", "bibliographic_titles": [{"bibliographic_title": "平成19(2007)年度 科学研究費補助金 基盤研究(C) 研究成果報告書概要"}, {"bibliographic_title": "2007 Fiscal Year Final Research Report Summary", "bibliographic_titleLang": "en"}]}]}, "item_9_creator_33": {"attribute_name": "著者別表示", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Oda, Tatsuki"}], "nameIdentifiers": [{"nameIdentifier": "18826", "nameIdentifierScheme": "WEKO"}, {"nameIdentifier": "30272941", "nameIdentifierScheme": "e-Rad", "nameIdentifierURI": "https://kaken.nii.ac.jp/ja/search/?qm=30272941"}]}]}, "item_9_description_21": {"attribute_name": "抄録", "attribute_value_mlt": [{"subitem_description": "カーボンナノチューブ(CNT)の固有欠陥を研究するため、グラファイト1層膜に相当するグラフェンの固有欠陥に対し第一原理計算を行い、その構造、安定性および拡散障壁について、研究を行い、グラフェン多原子空孔の安定構造を明らかにした。大きな格子緩和により、5員環が生成することが明らかになった。多原子空孔について、2,4,6が魔法数であると結論された。これを単純なモデルで説明するため、5員環の生成を考慮した、拡張されたダングリングボンドカウンティングモデルを提唱した。格子間原子は、原子空孔より容易に拡散し、拡散ののち複格子間原子が生成すると、その構造は極めて安定であることが分かった。複格子間原子を付着させた系を作り、構造変化やエネルギー変化を調べた結果、平坦なグラファイト膜等に大きな構造変化を導入させることができる可能性があることが分かった。2層(DW)CNTについて、実験で実際に作成されている直径(約1.8A程度)と同程度の直径をもつCNTを探索し、その中で軸方向の周期が短いものDWCNT(13,0)@(22,0)については、第一原理計算を用いて、電子状態(エネルギー分散関係や状態密度)を調べた。CNT(9,0)に鉄ワイヤーを挿入して、フェルミ準位付近の電子状態、安定構造および磁気構造を明らかにした。強磁性を示す系だけでなく反強磁性的な磁気配列も安定であることが分かった。この安定な反強磁性磁気配列では、隣り合う鉄原子が強磁性的な2量体を形成し、この2量体が反強磁性的に配列する新奇な磁気構造を示すことが分かった。水素終端していないグラフェンリボンや(5,5),(9,0)型CNTの端におけるアームチェア型端やジグザグ型端の安定構造を決定し電子状態を求めた。", "subitem_description_type": "Abstract"}, {"subitem_description": "energy, compared with the atomic vacancy defect.\nWe have researched the set of chiralities for the double walled (DW) CNT which corresponds to the experimentally observed one. For the DWCNT (13, 0)@(22, 0), we have obtained the electronic structure. We have also studied the electronic structure of the CNTs which include the Fe atomic wire. At the stable geometry in which the Fe atoms form a straight wire, the Fe wire was found to be located on the wall. We have obtained a ferromagnetic alignment and a novel anti-ferromagnetic one in Fe magnetic configurations as low energy states. The anti-ferromagnet consists of the two ferromagnetic dimers which couple in anti-parallel alignment.", "subitem_description_type": "Abstract"}]}, "item_9_description_22": {"attribute_name": "内容記述", "attribute_value_mlt": [{"subitem_description": "研究課題/領域番号:17510097, 研究期間(年度):2005 – 2007", "subitem_description_type": "Other"}, {"subitem_description": "出典：研究課題「マルチウォール型カーボンナノチューブの欠陥とその動力学に関する理論的研究」課題番号17510097\n（KAKEN：科学研究費助成事業データベース（国立情報学研究所）） \n（https://kaken.nii.ac.jp/ja/report/KAKENHI-PROJECT-17510097/175100972007kenkyu_seika_hokoku_gaiyo/）を加工して作成", "subitem_description_type": "Other"}]}, "item_9_description_5": {"attribute_name": "提供者所属", "attribute_value_mlt": [{"subitem_description": "金沢大学理工研究域数物科学系", "subitem_description_type": "Other"}]}, "item_9_identifier_registration": {"attribute_name": "ID登録", "attribute_value_mlt": [{"subitem_identifier_reg_text": "10.24517/00059828", "subitem_identifier_reg_type": "JaLC"}]}, "item_9_relation_28": {"attribute_name": "関連URI", 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"download_preview_message": "", "file_order": 0, "filename": "SC-PR-ODA-T-kaken 2010-5p.pdf", "filesize": [{"value": "237.2 kB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_11", "mimetype": "application/pdf", "size": 237200.0, "url": {"label": "SC-PR-ODA-T-kaken 2010-5p.pdf", "url": "https://kanazawa-u.repo.nii.ac.jp/record/53546/files/SC-PR-ODA-T-kaken 2010-5p.pdf"}, "version_id": "43c851ce-a172-4610-b711-77ce37feacca"}]}, "item_keyword": {"attribute_name": "キーワード", "attribute_value_mlt": [{"subitem_subject": "ナノテクノロジー", "subitem_subject_scheme": "Other"}, {"subitem_subject": "ナノエレクトロニクス", "subitem_subject_scheme": "Other"}, {"subitem_subject": "カーボンナノチューブ", "subitem_subject_scheme": "Other"}, {"subitem_subject": "グラフェン", "subitem_subject_scheme": "Other"}, {"subitem_subject": "固有欠陥", "subitem_subject_scheme": "Other"}, {"subitem_subject": "魔法数", "subitem_subject_scheme": "Other"}, {"subitem_subject": "密度汎関数法", "subitem_subject_scheme": "Other"}, {"subitem_subject": "ナノ鉄ワイヤー", "subitem_subject_scheme": "Other"}, {"subitem_subject": "nano-technology", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "electronics", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "carbon nano-tube", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "graphene", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "inherent defect", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "magic number", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "density functional theory", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}, {"subitem_subject": "iron nano-wire", "subitem_subject_language": "en", "subitem_subject_scheme": "Other"}]}, "item_language": 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