{"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":[{"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_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
model to calculate the photoemission spectra (PES) of a doped simple cubic lattice.
We mean to investigate the two intrinsic attributes of electrons: itineracy and
localization, which is able to clarify the co-existence of a Fermi edge and the step-like
multi-phonon structure, observed recently in the PES experiment of the boron-doped
diamond (BDD). Focusing on the area close to the Fermi level, a simple cubic lattice
structure is adopted instead of the real diamond one to simulate the various valence
band nature of BDD. This can simplify the problem without losing the key point.
 For the phonon effect becomes significant just after the doping, we take into
account the electron-phonon (e-ph) coupling only at the doped sites. However, the
phonon effect is then not very noticeable after averaging all the sites, so we also
calculate the spectrum of doped sites only, beside the whole system spectrum. From
the classical Monte Carlo (MC) computation, the emergence of a clear Fermi edge is
seen. increasing the doping ratio, the impurity band expands upto the top of valence
band, and fills the small semiconductor gap gradually. Thus, the sample undergoes a
semiconductor-metal transition. Electrons can move freely from one impurity atom to
another one through those intermediate carbon atoms. In quantum MC simulations,
the lattice Green's function is calculated by the path-integral theory to reproduce the
spectral function. From the whole system spectra, the phase transition is confirmed on
the increase of the dopant concentration. The satellite structure is observed in the
doped sites spectrum, even within lightly doped sample. This structure has not been
found in classical MC cases, obviously coming from the phonon quantum character in
the e-ph coupling. Increasing the coupling constant, a second phonon peak also
presents corresponding to the double-phonon, even multi-phonon scattering process.
Because of the stronger coupling, a clear Fermi edge also appears although the doping
rate is low. The co-existence of a Fermi edge and the step-like multi-phonon satellite
structure is reproduced completely, which can be interpreted from the two basic
properties of electrons: itineracy and localization.
 At the same time, our method, which can distinguish the spectra of different
components in the material as we have done in calculating the spectra for the whole
system and the doped sites only respectively, is very useful-to study the doped
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":[{"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","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"}