Eu@Sc20C60： Magnetic Volleyballene

Recently, a stable hollow Sc20C60 cage with Th point group symmetry has been proposed, due to its volleyball- like shape called volleyballene. Here the structural and electronic properties for Sc20C60 cage with a europium atom are further studied based on density functional theory. The results give...

Full description

Saved in:
Bibliographic Details
Published in中国物理快报：英文版 no. 10; pp. 149 - 152
Main Author 赵荟艳 马红曼 王静 刘英
Format Journal Article
LanguageEnglish
Published 01.10.2016
Subjects
sc20c60
欧盟
磁
Online AccessGet full text
ISSN0256-307X
1741-3540
DOI10.1088/0256-307X/33/10/108105

Cover

Abstract Recently, a stable hollow Sc20C60 cage with Th point group symmetry has been proposed, due to its volleyball- like shape called volleyballene. Here the structural and electronic properties for Sc20C60 cage with a europium atom are further studied based on density functional theory. The results give two stable low-lying Eu@Sc20C60 isomers, called cage-a and cage-b, respectively, which still retain the cage-like shape of Sc20C60 volleyballene. After a Eu atom is encaged into the Sc20C60 volleyballene, the HOMO-LUMO gaps decrease from 1.47eV of the Sc20C60 cage to 0.46 eV of cage-a and 0.21 eV of cage-b. Due to the half-filled 4f-electron orbital states of the Eu atom, the two low-lying Eu@Sc20C60 isomers have net magnetic moments of 7μB. This study further provides the possible applications for the Sc20C60 volleyballene, and enriches the species of magnetic cage-like molecules, which provides more information for magnetic storage and magnetic control.
AbstractList Recently, a stable hollow Sc20C60 cage with Th point group symmetry has been proposed, due to its volleyball- like shape called volleyballene. Here the structural and electronic properties for Sc20C60 cage with a europium atom are further studied based on density functional theory. The results give two stable low-lying Eu@Sc20C60 isomers, called cage-a and cage-b, respectively, which still retain the cage-like shape of Sc20C60 volleyballene. After a Eu atom is encaged into the Sc20C60 volleyballene, the HOMO-LUMO gaps decrease from 1.47eV of the Sc20C60 cage to 0.46 eV of cage-a and 0.21 eV of cage-b. Due to the half-filled 4f-electron orbital states of the Eu atom, the two low-lying Eu@Sc20C60 isomers have net magnetic moments of 7μB. This study further provides the possible applications for the Sc20C60 volleyballene, and enriches the species of magnetic cage-like molecules, which provides more information for magnetic storage and magnetic control.
Author 赵荟艳 马红曼 王静 刘英
AuthorAffiliation Department of Physics and Hebei Advanced Thin Film Laboratory, Hebei Normal University, Shijiazhuang 050024
Author_xml – sequence: 1
  fullname: 赵荟艳 马红曼 王静 刘英
BookMark eNo9jM1Kw0AURgepYFp9BSnidsy9M5m_nRJaLVRc-IO7MpnciZE40aYu-io-i-_kK1hQCh_nbA7fmI1Sn4ixU4QLBGtzEEpzCeY5lzJH2M0iqAOWoSmQS1XAiGX76IiNh-EVANEiZux89nl5HwSUGn6-v6a3vkm0acP0qe862lZ-x0TH7DD6bqCTf0_Y43z2UN7w5d31orxa8oBWbHhURvhAqiZXEMbaBheJVKzr4HS01jpXCR2RgDwpQokGCECjD1ZRpeSEnf39hpc-NR9talbv6_bNr7crbUBKoTXKX8D2RHo
ContentType Journal Article
DBID 2RA
92L
CQIGP
~WA
DOI 10.1088/0256-307X/33/10/108105
DatabaseName 维普期刊资源整合服务平台
中文科技期刊数据库-CALIS站点
维普中文期刊数据库
中文科技期刊数据库- 镜像站点
DatabaseTitleList
DeliveryMethod fulltext_linktorsrc
Discipline Physics
DocumentTitleAlternate Eu@Sc20C60： Magnetic Volleyballene
EISSN 1741-3540
EndPage 152
ExternalDocumentID 670332661
GroupedDBID 02O
042
1JI
1PV
1WK
29B
2RA
4.4
5B3
5GY
5VR
5VS
5ZH
7.M
7.Q
92L
AAGCD
AAJIO
AAJKP
AALHV
AATNI
ABHWH
ABJNI
ABQJV
ACAFW
ACGFS
ACHIP
AEFHF
AENEX
AFUIB
AFYNE
AHSEE
AKPSB
ALMA_UNASSIGNED_HOLDINGS
ASPBG
ATQHT
AVWKF
AZFZN
BBWZM
CEBXE
CJUJL
CQIGP
CRLBU
CS3
EBS
EDWGO
EJD
EMSAF
EPQRW
EQZZN
FEDTE
HAK
HVGLF
IHE
IJHAN
IOP
IZVLO
JCGBZ
KNG
KOT
LAP
M45
N5L
N9A
NS0
NT-
NT.
P2P
PJBAE
Q02
R4D
RIN
RNS
RO9
ROL
RPA
RW3
S3P
SY9
T37
UCJ
W28
XPP
~02
~WA
ID FETCH-LOGICAL-c182t-f572ace5de94e1fd8c9fee5fddc96f88899b26f1e0eae5e13170e0061ac85eb53
ISSN 0256-307X
IngestDate Wed Feb 14 10:10:13 EST 2024
IsPeerReviewed true
IsScholarly true
Issue 10
Language English
LinkModel OpenURL
MergedId FETCHMERGED-LOGICAL-c182t-f572ace5de94e1fd8c9fee5fddc96f88899b26f1e0eae5e13170e0061ac85eb53
Notes 11-1959/O4
Recently, a stable hollow Sc20C60 cage with Th point group symmetry has been proposed, due to its volleyball- like shape called volleyballene. Here the structural and electronic properties for Sc20C60 cage with a europium atom are further studied based on density functional theory. The results give two stable low-lying Eu@Sc20C60 isomers, called cage-a and cage-b, respectively, which still retain the cage-like shape of Sc20C60 volleyballene. After a Eu atom is encaged into the Sc20C60 volleyballene, the HOMO-LUMO gaps decrease from 1.47eV of the Sc20C60 cage to 0.46 eV of cage-a and 0.21 eV of cage-b. Due to the half-filled 4f-electron orbital states of the Eu atom, the two low-lying Eu@Sc20C60 isomers have net magnetic moments of 7μB. This study further provides the possible applications for the Sc20C60 volleyballene, and enriches the species of magnetic cage-like molecules, which provides more information for magnetic storage and magnetic control.
PageCount 4
ParticipantIDs chongqing_primary_670332661
PublicationCentury 2000
PublicationDate 2016-10-01
PublicationDateYYYYMMDD 2016-10-01
PublicationDate_xml – month: 10
  year: 2016
  text: 2016-10-01
  day: 01
PublicationDecade 2010
PublicationTitle 中国物理快报：英文版
PublicationTitleAlternate Chinese Physics Letters
PublicationYear 2016
SSID ssj0011811
Score 2.1285195
Snippet Recently, a stable hollow Sc20C60 cage with Th point group symmetry has been proposed, due to its volleyball- like shape called volleyballene. Here the...
SourceID chongqing
SourceType Publisher
StartPage 149
SubjectTerms sc20c60
欧盟
磁
Title Eu@Sc20C60： Magnetic Volleyballene
URI http://lib.cqvip.com/qk/84212X/201610/670332661.html
hasFullText 1
inHoldings 1
isFullTextHit
isPrint
journalDatabaseRights – providerCode: PRVIOP
  databaseName: IOP Science Platform
  customDbUrl:
  eissn: 1741-3540
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0011811
  issn: 0256-307X
  databaseCode: IOP
  dateStart: 19840101
  isFulltext: true
  titleUrlDefault: https://iopscience.iop.org/
  providerName: IOP Publishing
link http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnR3LjtQwLBoWIXFBPAUsoDmsT1WZpG1a50bbbbUg8ZDYRXNbtWmynLo8Zg7wKXwL_8Qv4KSdblcgBEijyMrD7tSWY7uOw9iBbeIki6QNE4x0mJDTEaJUTRg3GblDcRzxzlf7fJUenSQv1nK9WMyzlrab9qn--ttzJf_DVeojvrpTsv_A2QkpdRBM_KWWOEztX_G42kLC3-qIlymHqoaiBJUHL5uz3h1NDN65oMCX1t-WcinjB6oECoT8ECoJqoCCgAxQQa4coDhg6oaKGvICqhQwh1xOFKBCQFol3JCi0WxcjlNerJtSSPdzcw9B1R5QUMQBVJ5QXrpVBWGOPB5CWAYeUeWw0yRF61TgHgQRFE5k55EKkU45bzuFRuaVi3Wth71nULhk0YQu9jSXNT7TqGKoaDpuzmIod_uL3idd6UtkjAQIdoHqWnDfoODyYr-bshBT0naxM1CusKtRlqbuAoznr99MH6HI-PEXLu6w7g6YI66mvlUc0wOsBhquPsf78_7sI1kdMyvl-Ca7MboXy3yQlVtsYfrb7JpP89Wf77CDavtslJcf378td5KyvCQpd9lJXR2XR-F4T0aoyTvchFZmUaON7IxKjLAdamWNkbbrtEotIrnUbZRaYbhpjDSCTEZunO3aaJSmlfE9ttef9-Y-WyZKZ9ZaYkobJ6h0m4jMcEsYZdN22D1g-9M_PP0w1EM5nd7jwz-O7rPrF1LxiO1tPm3NY7LoNu0T_95_AowZKow
linkProvider IOP Publishing
openUrl ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Eu%40Sc20C60%EF%BC%9A+Magnetic+Volleyballene&rft.jtitle=%E4%B8%AD%E5%9B%BD%E7%89%A9%E7%90%86%E5%BF%AB%E6%8A%A5%EF%BC%9A%E8%8B%B1%E6%96%87%E7%89%88&rft.au=%E8%B5%B5%E8%8D%9F%E8%89%B3+%E9%A9%AC%E7%BA%A2%E6%9B%BC+%E7%8E%8B%E9%9D%99+%E5%88%98%E8%8B%B1&rft.date=2016-10-01&rft.issn=0256-307X&rft.eissn=1741-3540&rft.issue=10&rft.spage=149&rft.epage=152&rft_id=info:doi/10.1088%2F0256-307X%2F33%2F10%2F108105&rft.externalDocID=670332661
thumbnail_s http://utb.summon.serialssolutions.com/2.0.0/image/custom?url=http%3A%2F%2Fimage.cqvip.com%2Fvip1000%2Fqk%2F84212X%2F84212X.jpg