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Article: Structural and electronic properties of C59X (X=B,N): The extended Su-Schrieffer-Heeger model
Title | Structural and electronic properties of C59X (X=B,N): The extended Su-Schrieffer-Heeger model |
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Authors | |
Keywords | Physics |
Issue Date | 1995 |
Publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ |
Citation | Physical Review B (Condensed Matter), 1995, v. 51 n. 3, p. 1977-1980 How to Cite? |
Abstract | The 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 Identifier | http://hdl.handle.net/10722/43225 |
ISSN | |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Dong, J | en_HK |
dc.contributor.author | Jiang, J | en_HK |
dc.contributor.author | Wang, ZD | en_HK |
dc.contributor.author | Xing, DY | en_HK |
dc.date.accessioned | 2007-03-23T04:41:41Z | - |
dc.date.available | 2007-03-23T04:41:41Z | - |
dc.date.issued | 1995 | en_HK |
dc.identifier.citation | Physical Review B (Condensed Matter), 1995, v. 51 n. 3, p. 1977-1980 | - |
dc.identifier.issn | 0163-1829 | en_HK |
dc.identifier.uri | http://hdl.handle.net/10722/43225 | - |
dc.description.abstract | The 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.extent | 664464 bytes | - |
dc.format.extent | 45056 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.format.mimetype | application/msword | - |
dc.language | eng | en_HK |
dc.publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ | en_HK |
dc.relation.ispartof | Physical Review B (Condensed Matter) | - |
dc.rights | Copyright 1995 by The American Physical Society. This article is available online at https://doi.org/10.1103/PhysRevB.51.1977 | - |
dc.subject | Physics | en_HK |
dc.title | Structural and electronic properties of C59X (X=B,N): The extended Su-Schrieffer-Heeger model | en_HK |
dc.type | Article | en_HK |
dc.identifier.openurl | http://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+model | en_HK |
dc.identifier.email | Wang, ZD: zwang@hkucc.hku.hk | en_HK |
dc.identifier.authority | Wang, ZD=rp00802 | en_HK |
dc.description.nature | published_or_final_version | en_HK |
dc.identifier.doi | 10.1103/PhysRevB.51.1977 | en_HK |
dc.identifier.scopus | eid_2-s2.0-35949006275 | en_HK |
dc.identifier.hkuros | 3234 | - |
dc.identifier.volume | 51 | en_HK |
dc.identifier.issue | 3 | en_HK |
dc.identifier.spage | 1977 | en_HK |
dc.identifier.epage | 1980 | en_HK |
dc.identifier.isi | WOS:A1995QH79000077 | - |
dc.publisher.place | United States | en_HK |
dc.identifier.scopusauthorid | Dong, J=7403365671 | en_HK |
dc.identifier.scopusauthorid | Jiang, J=7404829207 | en_HK |
dc.identifier.scopusauthorid | Wang, ZD=14828459100 | en_HK |
dc.identifier.scopusauthorid | Xing, DY=22965286500 | en_HK |
dc.identifier.issnl | 0163-1829 | - |