{"_buckets": {"deposit": "444b6f79-86b4-4382-aca1-fb8b47b08dbe"}, "_deposit": {"created_by": 1, "id": "680", "owners": [1], "pid": {"revision_id": 0, "type": "depid", "value": "680"}, "status": "published"}, "_oai": {"id": "oai:ir.soken.ac.jp:00000680", "sets": ["15"]}, "author_link": ["0", "0", "0"], "item_1_biblio_info_21": {"attribute_name": "書誌情報（ソート用）", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2007-09-28", "bibliographicIssueDateType": "Issued"}, "bibliographic_titles": [{}]}]}, "item_1_creator_2": {"attribute_name": "著者名", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "余, 継鋒"}], "nameIdentifiers": [{"nameIdentifier": "0", "nameIdentifierScheme": "WEKO"}]}]}, "item_1_creator_3": {"attribute_name": "フリガナ", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "ユジファン"}], "nameIdentifiers": [{"nameIdentifier": "0", "nameIdentifierScheme": "WEKO"}]}]}, "item_1_date_granted_11": {"attribute_name": "学位授与年月日", "attribute_value_mlt": [{"subitem_dategranted": "2007-09-28"}]}, "item_1_degree_grantor_5": {"attribute_name": "学位授与機関", "attribute_value_mlt": [{"subitem_degreegrantor": [{"subitem_degreegrantor_name": "総合研究大学院大学"}]}]}, "item_1_degree_name_6": {"attribute_name": "学位名", "attribute_value_mlt": [{"subitem_degreename": "博士（理学）"}]}, "item_1_description_1": {"attribute_name": "ID", "attribute_value_mlt": [{"subitem_description": "2007512", "subitem_description_type": "Other"}]}, "item_1_description_12": {"attribute_name": "要旨", "attribute_value_mlt": [{"subitem_description": "　In this thesis, we apply a new path-integral theory to the many impurities Holstein \u003cbr /\u003emodel to calculate the photoemission spectra (PES) of a doped simple cubic lattice. \u003cbr /\u003eWe mean to investigate the two intrinsic attributes of electrons: itineracy and \u003cbr /\u003elocalization, which is able to clarify the co-existence of a Fermi edge and the step-like \u003cbr /\u003emulti-phonon structure, observed recently in the PES experiment of the boron-doped \u003cbr /\u003ediamond (BDD). Focusing on the area close to the Fermi level, a simple cubic lattice \u003cbr /\u003estructure is adopted instead of the real diamond one to simulate the various valence \u003cbr /\u003eband nature of BDD. This can simplify the problem without losing the key point. \u003cbr /\u003e　For the phonon effect becomes significant just after the doping, we take into \u003cbr /\u003eaccount the electron-phonon (e-ph) coupling only at the doped sites. However, the \u003cbr /\u003ephonon effect is then not very noticeable after averaging all the sites, so we also \u003cbr /\u003ecalculate the spectrum of doped sites only, beside the whole system spectrum. From \u003cbr /\u003ethe classical Monte Carlo (MC) computation, the emergence of a clear Fermi edge is \u003cbr /\u003eseen. increasing the doping ratio, the impurity band expands upto the top of valence \u003cbr /\u003eband, and fills the small semiconductor gap gradually. Thus, the sample undergoes a \u003cbr /\u003esemiconductor-metal transition. Electrons can move freely from one impurity atom to \u003cbr /\u003eanother one through those intermediate carbon atoms. In quantum MC simulations, \u003cbr /\u003ethe lattice Green\u0027s function is calculated by the path-integral theory to reproduce the \u003cbr /\u003espectral function. From the whole system spectra, the phase transition is confirmed on \u003cbr /\u003ethe increase of the dopant concentration. The satellite structure is observed in the \u003cbr /\u003edoped sites spectrum, even within lightly doped sample. This structure has not been \u003cbr /\u003efound in classical MC cases, obviously coming from the phonon quantum character in \u003cbr /\u003ethe e-ph coupling. Increasing the coupling constant, a second phonon peak also \u003cbr /\u003epresents corresponding to the double-phonon, even multi-phonon scattering process. \u003cbr /\u003eBecause of the stronger coupling, a clear Fermi edge also appears although the doping \u003cbr /\u003erate is low. The co-existence of a Fermi edge and the step-like multi-phonon satellite \u003cbr /\u003estructure is reproduced completely, which can be interpreted from the two basic \u003cbr /\u003eproperties of electrons: itineracy and localization. \u003cbr /\u003e　At the same time, our method, which can distinguish the spectra of different \u003cbr /\u003ecomponents in the material as we have done in calculating the spectra for the whole \u003cbr /\u003esystem and the doped sites only respectively, is very useful-to study the doped \u003cbr /\u003esystems, and to explain the resonant PES experiments. ", "subitem_description_type": "Other"}]}, "item_1_description_7": {"attribute_name": "学位記番号", "attribute_value_mlt": [{"subitem_description": "総研大甲第1094号", "subitem_description_type": "Other"}]}, "item_1_select_14": {"attribute_name": "所蔵", "attribute_value_mlt": [{"subitem_select_item": "有"}]}, "item_1_select_16": {"attribute_name": "複写", "attribute_value_mlt": [{"subitem_select_item": "application/pdf"}]}, "item_1_select_8": {"attribute_name": "研究科", "attribute_value_mlt": [{"subitem_select_item": "高エネルギー加速器科学研究科"}]}, "item_1_select_9": {"attribute_name": "専攻", "attribute_value_mlt": [{"subitem_select_item": "13 物質構造科学専攻"}]}, "item_1_text_10": {"attribute_name": "学位授与年度", "attribute_value_mlt": [{"subitem_text_value": "2007"}]}, "item_creator": {"attribute_name": "著者", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "YU, Jifeng", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "0", "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": "2016-02-17"}], "displaytype": "simple", "download_preview_message": "", "file_order": 0, "filename": "甲1094_要旨.pdf", "filesize": [{"value": "199.8 kB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_11", "mimetype": "application/pdf", "size": 199800.0, "url": {"label": "要旨・審査要旨", "url": "https://ir.soken.ac.jp/record/680/files/甲1094_要旨.pdf"}, "version_id": "94083d05-538b-43eb-8faa-e48b41fc57a3"}, {"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2016-02-17"}], "displaytype": "simple", "download_preview_message": "", "file_order": 1, "filename": "甲1094_本文.pdf", "filesize": [{"value": "1.6 MB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_11", "mimetype": "application/pdf", "size": 1600000.0, "url": {"label": "本文", "url": "https://ir.soken.ac.jp/record/680/files/甲1094_本文.pdf"}, "version_id": "14b853e0-f4d6-4bb6-89c3-9c8379749959"}]}, "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": "thesis", "resourceuri": "http://purl.org/coar/resource_type/c_46ec"}]}, "item_title": "Photoemission Spectra Calculation of Boron-Doped Diamond using Quantum Monte Carlo Method", "item_titles": {"attribute_name": "タイトル", "attribute_value_mlt": [{"subitem_title": "Photoemission Spectra Calculation of Boron-Doped Diamond using Quantum Monte Carlo Method"}, {"subitem_title": "Photoemission Spectra Calculation of Boron-Doped Diamond using Quantum Monte Carlo Method", "subitem_title_language": "en"}]}, "item_type_id": "1", "owner": "1", "path": ["15"], "permalink_uri": "https://ir.soken.ac.jp/records/680", "pubdate": {"attribute_name": "公開日", "attribute_value": "2010-02-22"}, "publish_date": "2010-02-22", "publish_status": "0", "recid": "680", "relation": {}, "relation_version_is_last": true, "title": ["Photoemission Spectra Calculation of Boron-Doped Diamond using Quantum Monte Carlo Method"], "weko_shared_id": 1}