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Article: Extended SSH model approach to dopyballs C 58B 2 and C 58N 2

TitleExtended SSH model approach to dopyballs C 58B 2 and C 58N 2
Authors
Keywords71.55.Ht
74.70.Wz
Issue Date1995
PublisherSpringer Verlag. The Journal's web site is located at http://www.edpsciences.org/journal/index.cfm?edpsname=epjb
Citation
Zeitschrift Für Physik B Condensed Matter, 1995, v. 97 n. 3, p. 433-437 How to Cite?
AbstractThe Su-Schrieffer-Heeger (SSH) model has been extended to study electronic properties of Dopyballs C 58B 2 and C 58N 2. It is proposed that self-consistent solutions for electronic wave functions should satisfy some symmetry conditions even though the icosahedral symmetry C 60 has lost by doping. The present numerical results are compared with those obtained from a selfconsistent-field molecular-orbital (SCF-MO) method, most of them being in good agreement with each other. However, for a C 58B 2 isomer in which two B atoms are on opposite sides of the cage, our result for electronic energy levels differs quite from the SCF-MO result. We discuss this difference from a viewpoint of the symmetry requirement. © 1995 Springer-Verlag.
Persistent Identifierhttp://hdl.handle.net/10722/174943
ISSN
1999 Impact Factor: 1.727
2000 SCImago Journal Rankings: 1.637
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorLiu, Men_US
dc.contributor.authorWang, ZDen_US
dc.contributor.authorDong, Jen_US
dc.contributor.authorXing, DYen_US
dc.date.accessioned2012-11-26T08:48:17Z-
dc.date.available2012-11-26T08:48:17Z-
dc.date.issued1995en_US
dc.identifier.citationZeitschrift Für Physik B Condensed Matter, 1995, v. 97 n. 3, p. 433-437en_US
dc.identifier.issn0722-3277en_US
dc.identifier.urihttp://hdl.handle.net/10722/174943-
dc.description.abstractThe Su-Schrieffer-Heeger (SSH) model has been extended to study electronic properties of Dopyballs C 58B 2 and C 58N 2. It is proposed that self-consistent solutions for electronic wave functions should satisfy some symmetry conditions even though the icosahedral symmetry C 60 has lost by doping. The present numerical results are compared with those obtained from a selfconsistent-field molecular-orbital (SCF-MO) method, most of them being in good agreement with each other. However, for a C 58B 2 isomer in which two B atoms are on opposite sides of the cage, our result for electronic energy levels differs quite from the SCF-MO result. We discuss this difference from a viewpoint of the symmetry requirement. © 1995 Springer-Verlag.en_US
dc.languageengen_US
dc.publisherSpringer Verlag. The Journal's web site is located at http://www.edpsciences.org/journal/index.cfm?edpsname=epjben_US
dc.relation.ispartofZeitschrift für Physik B Condensed Matteren_US
dc.subject71.55.Hten_US
dc.subject74.70.Wzen_US
dc.titleExtended SSH model approach to dopyballs C 58B 2 and C 58N 2en_US
dc.typeArticleen_US
dc.identifier.emailWang, ZD: zwang@hkucc.hku.hken_US
dc.identifier.authorityWang, ZD=rp00802en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1007/BF01317226en_US
dc.identifier.scopuseid_2-s2.0-19044390368en_US
dc.identifier.hkuros5924-
dc.identifier.hkuros9271-
dc.identifier.volume97en_US
dc.identifier.issue3en_US
dc.identifier.spage433en_US
dc.identifier.epage437en_US
dc.identifier.isiWOS:A1995RA15700007-
dc.publisher.placeGermanyen_US
dc.identifier.scopusauthoridLiu, M=7406300052en_US
dc.identifier.scopusauthoridWang, ZD=14828459100en_US
dc.identifier.scopusauthoridDong, J=7403365671en_US
dc.identifier.scopusauthoridXing, DY=7202670397en_US

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