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Article: Structural and electronic properties of C59X (X=B,N): The extended Su-Schrieffer-Heeger model

TitleStructural and electronic properties of C59X (X=B,N): The extended Su-Schrieffer-Heeger model
Authors
KeywordsPhysics
Issue Date1995
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B, 1995, v. 51 n. 3, p. 1977-1980 How to Cite?
AbstractThe molecules C59X (X=B,N) are investigated by the extended Su-Schrieffer-Heeger model. The obtained results for the energy levels and molecular structures are compared with those from a self-consistent-field molecular-orbital (SCF-MO) method. We have found that by choosing suitable empirical parameters, most of the features included in the results of the SCF-MO method can be well reproduced. Other structural and electronic properties such as the excess electron density and the amplitude of the midgap states have also been studied. © 1995 The American Physical Society.
Persistent Identifierhttp://hdl.handle.net/10722/43225
ISSN
2001 Impact Factor: 3.07
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorDong, Jen_HK
dc.contributor.authorJiang, Jen_HK
dc.contributor.authorWang, ZDen_HK
dc.contributor.authorXing, DYen_HK
dc.date.accessioned2007-03-23T04:41:41Z-
dc.date.available2007-03-23T04:41:41Z-
dc.date.issued1995en_HK
dc.identifier.citationPhysical Review B, 1995, v. 51 n. 3, p. 1977-1980en_HK
dc.identifier.issn0163-1829en_HK
dc.identifier.urihttp://hdl.handle.net/10722/43225-
dc.description.abstractThe molecules C59X (X=B,N) are investigated by the extended Su-Schrieffer-Heeger model. The obtained results for the energy levels and molecular structures are compared with those from a self-consistent-field molecular-orbital (SCF-MO) method. We have found that by choosing suitable empirical parameters, most of the features included in the results of the SCF-MO method can be well reproduced. Other structural and electronic properties such as the excess electron density and the amplitude of the midgap states have also been studied. © 1995 The American Physical Society.en_HK
dc.format.extent664464 bytes-
dc.format.extent45056 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/en_HK
dc.relation.ispartofPhysical Review Ben_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.rightsPhysical Review B (Condensed Matter). Copyright © American Physical Society.en_HK
dc.subjectPhysicsen_HK
dc.titleStructural and electronic properties of C59X (X=B,N): The extended Su-Schrieffer-Heeger modelen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0163-1829&volume=51&issue=3&spage=1977&epage=1980&date=1995&atitle=Structural+and+electronic+properties+of+C59X+(X=B,N):+The+extended+Su-Schrieffer-Heeger+modelen_HK
dc.identifier.emailWang, ZD: zwang@hkucc.hku.hken_HK
dc.identifier.authorityWang, ZD=rp00802en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1103/PhysRevB.51.1977en_HK
dc.identifier.scopuseid_2-s2.0-35949006275en_HK
dc.identifier.hkuros3234-
dc.identifier.volume51en_HK
dc.identifier.issue3en_HK
dc.identifier.spage1977en_HK
dc.identifier.epage1980en_HK
dc.identifier.isiWOS:A1995QH79000077-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridDong, J=7403365671en_HK
dc.identifier.scopusauthoridJiang, J=7404829207en_HK
dc.identifier.scopusauthoridWang, ZD=14828459100en_HK
dc.identifier.scopusauthoridXing, DY=22965286500en_HK

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