ログイン
言語:

WEKO3

  • トップ
  • ランキング
To
lat lon distance
To

Field does not validate



インデックスリンク

インデックスツリー

メールアドレスを入力してください。

WEKO

One fine body…

WEKO

One fine body…

アイテム

{"_buckets": {"deposit": "743fa617-42f5-48cf-b432-e07c3e5755c2"}, "_deposit": {"id": "29228", "owners": [], "pid": {"revision_id": 0, "type": "depid", "value": "29228"}, "status": "published"}, "_oai": {"id": "oai:nagoya.repo.nii.ac.jp:00029228", "sets": ["696"]}, "author_link": ["95827", "95828", "95829", "95830", "95831", "95832", "95833", "95834", "95835", "95836"], "item_10_biblio_info_6": {"attribute_name": "書誌情報", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2014-07-11", "bibliographicIssueDateType": "Issued"}, "bibliographicIssueNumber": "1", "bibliographicPageStart": "4411", "bibliographicVolumeNumber": "5", "bibliographic_titles": [{"bibliographic_title": "Nature Communications", "bibliographic_titleLang": "en"}]}]}, "item_10_description_4": {"attribute_name": "抄録", "attribute_value_mlt": [{"subitem_description": "The neutral radical 1,3,5-trithia-2,4,6-triazapentalenyl (TTTA) is a prototype of molecule-based bistable materials. TTTA crystals undergo a first-order phase transition between their low-temperature diamagnetic and high-temperature paramagnetic phases, with a large hysteresis loop that encompasses room temperature. Here, based on ab initio molecular dynamics simulations and new X-ray measurements, we uncover that the regular stacking motif of the high-temperature polymorph is the result of a fast intra-stack pair-exchange dynamics, whereby TTTA radicals continually exchange the adjacent TTTA neighbour (upper or lower) with which they form an eclipsed dimer. Such unique dynamics, observed in the paramagnetic phase within the whole hysteresis loop, is the origin of a significant vibrational entropic gain in the low-temperature to high-temperature transition and thereby it plays a key role in driving the phase transition. This finding provides a new key concept that needs to be explored for the rational design of novel molecule-based bistable magnetic materials.", "subitem_description_language": "en", "subitem_description_type": "Abstract"}]}, "item_10_publisher_32": {"attribute_name": "出版者", "attribute_value_mlt": [{"subitem_publisher": "Nature", "subitem_publisher_language": "en"}]}, "item_10_relation_11": {"attribute_name": "DOI", "attribute_value_mlt": [{"subitem_relation_type": "isVersionOf", "subitem_relation_type_id": {"subitem_relation_type_id_text": "https://doi.org/10.1038/ncomms5411", "subitem_relation_type_select": "DOI"}}]}, "item_10_rights_12": {"attribute_name": "権利", "attribute_value_mlt": [{"subitem_rights": "Nature Communications articles are published open access under a CC BY license (Creative Commons Attribution 4.0 International License).", "subitem_rights_language": "en"}]}, "item_10_select_15": {"attribute_name": "著者版フラグ", "attribute_value_mlt": [{"subitem_select_item": "publisher"}]}, "item_10_source_id_62": {"attribute_name": "ISSN(Online)", "attribute_value_mlt": [{"subitem_source_identifier": "2041-1723", "subitem_source_identifier_type": "EISSN"}]}, "item_1615787544753": {"attribute_name": "出版タイプ", "attribute_value_mlt": [{"subitem_version_resource": "http://purl.org/coar/version/c_970fb48d4fbd8a85", "subitem_version_type": "VoR"}]}, "item_access_right": {"attribute_name": "アクセス権", "attribute_value_mlt": [{"subitem_access_right": "open access", "subitem_access_right_uri": "http://purl.org/coar/access_right/c_abf2"}]}, "item_creator": {"attribute_name": "著者", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Vela, Sergi", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95827", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Mota, Fernando", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95828", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Deumal, Mercè", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95829", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Suizu, Rie", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95830", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Shuku, Yoshiaki", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95831", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Mizuno, Asato", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95832", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Awaga, Kunio", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95833", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Shiga, Motoyuki", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95834", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Novoa, Juan J", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95835", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Ribas-Arino, Jordi", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "95836", "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": "2020-01-29"}], "displaytype": "detail", "download_preview_message": "", "file_order": 0, "filename": "ncomms5411.pdf", "filesize": [{"value": "1.4 MB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_note", "mimetype": "application/pdf", "size": 1400000.0, "url": {"label": "ncomms5411", "objectType": "fulltext", "url": "https://nagoya.repo.nii.ac.jp/record/29228/files/ncomms5411.pdf"}, "version_id": "721ce956-13f7-4047-934c-0a88c81108ed"}]}, "item_keyword": {"attribute_name": "キーワード", "attribute_value_mlt": [{"subitem_subject": "Magnetic properties and materials", "subitem_subject_scheme": "Other"}, {"subitem_subject": "Phase transitions and critical phenomena", "subitem_subject_scheme": "Other"}, {"subitem_subject": "Thermodynamics", "subitem_subject_scheme": "Other"}]}, "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": "journal article", "resourceuri": "http://purl.org/coar/resource_type/c_6501"}]}, "item_title": "The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials", "item_titles": {"attribute_name": "タイトル", "attribute_value_mlt": [{"subitem_title": "The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials", "subitem_title_language": "en"}]}, "item_type_id": "10", "owner": "1", "path": ["696"], "permalink_uri": "http://hdl.handle.net/2237/00031415", "pubdate": {"attribute_name": "PubDate", "attribute_value": "2020-01-29"}, "publish_date": "2020-01-29", "publish_status": "0", "recid": "29228", "relation": {}, "relation_version_is_last": true, "title": ["The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials"], "weko_shared_id": -1}
  1. B100 理学部/理学研究科
  2. B100a 雑誌掲載論文
  3. 学術雑誌

The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials

http://hdl.handle.net/2237/00031415
http://hdl.handle.net/2237/00031415
3c600636-da82-4a7f-9506-590b98c9d91b
名前 / ファイル ライセンス アクション
ncomms5411.pdf ncomms5411 (1.4 MB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2020-01-29
タイトル
タイトル The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials
言語 en
著者 Vela, Sergi

× Vela, Sergi

WEKO 95827

en Vela, Sergi

Search repository
Mota, Fernando

× Mota, Fernando

WEKO 95828

en Mota, Fernando

Search repository
Deumal, Mercè

× Deumal, Mercè

WEKO 95829

en Deumal, Mercè

Search repository
Suizu, Rie

× Suizu, Rie

WEKO 95830

en Suizu, Rie

Search repository
Shuku, Yoshiaki

× Shuku, Yoshiaki

WEKO 95831

en Shuku, Yoshiaki

Search repository
Mizuno, Asato

× Mizuno, Asato

WEKO 95832

en Mizuno, Asato

Search repository
Awaga, Kunio

× Awaga, Kunio

WEKO 95833

en Awaga, Kunio

Search repository
Shiga, Motoyuki

× Shiga, Motoyuki

WEKO 95834

en Shiga, Motoyuki

Search repository
Novoa, Juan J

× Novoa, Juan J

WEKO 95835

en Novoa, Juan J

Search repository
Ribas-Arino, Jordi

× Ribas-Arino, Jordi

WEKO 95836

en Ribas-Arino, Jordi

Search repository
アクセス権
アクセス権 open access
アクセス権URI http://purl.org/coar/access_right/c_abf2
権利
言語 en
権利情報 Nature Communications articles are published open access under a CC BY license (Creative Commons Attribution 4.0 International License).
キーワード
主題Scheme Other
主題 Magnetic properties and materials
キーワード
主題Scheme Other
主題 Phase transitions and critical phenomena
キーワード
主題Scheme Other
主題 Thermodynamics
抄録
内容記述 The neutral radical 1,3,5-trithia-2,4,6-triazapentalenyl (TTTA) is a prototype of molecule-based bistable materials. TTTA crystals undergo a first-order phase transition between their low-temperature diamagnetic and high-temperature paramagnetic phases, with a large hysteresis loop that encompasses room temperature. Here, based on ab initio molecular dynamics simulations and new X-ray measurements, we uncover that the regular stacking motif of the high-temperature polymorph is the result of a fast intra-stack pair-exchange dynamics, whereby TTTA radicals continually exchange the adjacent TTTA neighbour (upper or lower) with which they form an eclipsed dimer. Such unique dynamics, observed in the paramagnetic phase within the whole hysteresis loop, is the origin of a significant vibrational entropic gain in the low-temperature to high-temperature transition and thereby it plays a key role in driving the phase transition. This finding provides a new key concept that needs to be explored for the rational design of novel molecule-based bistable magnetic materials.
言語 en
内容記述タイプ Abstract
出版者
言語 en
出版者 Nature
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
タイプ journal article
出版タイプ
出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1038/ncomms5411
ISSN(Online)
収録物識別子タイプ EISSN
収録物識別子 2041-1723
書誌情報 en : Nature Communications

巻 5, 号 1, p. 4411, 発行日 2014-07-11
著者版フラグ
値 publisher
戻る
0
views
See details
Views

Versions

Ver.1 2021-03-01 09:39:59.427608
Show All versions

Share

Mendeley Twitter Facebook Print Addthis

Cite as

エクスポート

OAI-PMH
  • OAI-PMH JPCOAR
  • OAI-PMH DublinCore
  • OAI-PMH DDI
Other Formats
  • JSON
  • BIBTEX

Confirm


Powered by WEKO3


Powered by WEKO3