{"created":"2023-06-20T13:20:38.520151+00:00","id":680,"links":{},"metadata":{"_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":["2:428:15"]},"author_link":["0","0","0"],"item_1_creator_2":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"余, 継鋒"}],"nameIdentifiers":[{}]}]},"item_1_creator_3":{"attribute_name":"フリガナ","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"ユジファン"}],"nameIdentifiers":[{}]}]},"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_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 <br />model to calculate the photoemission spectra (PES) of a doped simple cubic lattice. <br />We mean to investigate the two intrinsic attributes of electrons: itineracy and <br />localization, which is able to clarify the co-existence of a Fermi edge and the step-like <br />multi-phonon structure, observed recently in the PES experiment of the boron-doped <br />diamond (BDD). Focusing on the area close to the Fermi level, a simple cubic lattice <br />structure is adopted instead of the real diamond one to simulate the various valence <br />band nature of BDD. This can simplify the problem without losing the key point. <br />　For the phonon effect becomes significant just after the doping, we take into <br />account the electron-phonon (e-ph) coupling only at the doped sites. However, the <br />phonon effect is then not very noticeable after averaging all the sites, so we also <br />calculate the spectrum of doped sites only, beside the whole system spectrum. From <br />the classical Monte Carlo (MC) computation, the emergence of a clear Fermi edge is <br />seen. increasing the doping ratio, the impurity band expands upto the top of valence <br />band, and fills the small semiconductor gap gradually. Thus, the sample undergoes a <br />semiconductor-metal transition. Electrons can move freely from one impurity atom to <br />another one through those intermediate carbon atoms. In quantum MC simulations, <br />the lattice Green's function is calculated by the path-integral theory to reproduce the <br />spectral function. From the whole system spectra, the phase transition is confirmed on <br />the increase of the dopant concentration. The satellite structure is observed in the <br />doped sites spectrum, even within lightly doped sample. This structure has not been <br />found in classical MC cases, obviously coming from the phonon quantum character in <br />the e-ph coupling. Increasing the coupling constant, a second phonon peak also <br />presents corresponding to the double-phonon, even multi-phonon scattering process. <br />Because of the stronger coupling, a clear Fermi edge also appears although the doping <br />rate is low. The co-existence of a Fermi edge and the step-like multi-phonon satellite <br />structure is reproduced completely, which can be interpreted from the two basic <br />properties of electrons: itineracy and localization. <br />　At the same time, our method, which can distinguish the spectra of different <br />components in the material as we have done in calculating the spectra for the whole <br />system and the doped sites only respectively, is very useful-to study the doped <br />systems, 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_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":[{}]}]},"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","filename":"甲1094_要旨.pdf","filesize":[{"value":"199.8 kB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","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","filename":"甲1094_本文.pdf","filesize":[{"value":"1.6 MB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","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"],"pubdate":{"attribute_name":"公開日","attribute_value":"2010-02-22"},"publish_date":"2010-02-22","publish_status":"0","recid":"680","relation_version_is_last":true,"title":["Photoemission Spectra Calculation of Boron-Doped Diamond using Quantum Monte Carlo Method"],"weko_creator_id":"1","weko_shared_id":1},"updated":"2023-06-20T16:00:17.856684+00:00"}