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dc.contributor.authorZhang, Yongyou
dc.contributor.authorZhang, Qingyun
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2017-10-30T08:39:52Z
dc.date.available2017-10-30T08:39:52Z
dc.date.issued2017-10-17
dc.identifier.citationZhang Y, Zhang Q, Schwingenschlögl U (2017) Spin-Charge Separation in Finite Length Metallic Carbon Nanotubes. Nano Letters. Available: http://dx.doi.org/10.1021/acs.nanolett.7b02880.
dc.identifier.issn1530-6984
dc.identifier.issn1530-6992
dc.identifier.pmid29039674
dc.identifier.doi10.1021/acs.nanolett.7b02880
dc.identifier.urihttp://hdl.handle.net/10754/626047
dc.description.abstractUsing time-dependent density functional theory, we study the optical excitations in finite length carbon nanotubes. Evidence of spin-charge separation is given in the spacetime domain. We demonstrate that the charge density wave is due to collective excitations of electron singlets, while the accompanying spin density wave is due to those of electron triplets. The Tomonaga–Luttinger liquid parameter and density–density interaction are extrapolated from the first-principles excitation energies. We show that the density–density interaction increases with the length of the nanotube. The singlet and triplet excitation energies, on the other hand, decrease for increasing length of the nanotube. Their ratio is used to establish a first-principles approach for deriving the Tomonaga–Luttinger parameter (in excellent agreement with experimental data). Time evolution analysis of the charge and spin line densities evidences that the charge and spin density waves are elementary excitations of metallic carbon nanotubes. Their dynamics show no dependence on each other.
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). It was also supported by the National Natural Science Foundation of China (NSFC grant no. 11304015).
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acs.nanolett.7b02880
dc.subjectcarbon nanotube
dc.subjectsinglet excitation
dc.subjectSpin-charge separation
dc.subjecttriplet excitation
dc.titleSpin-Charge Separation in Finite Length Metallic Carbon Nanotubes
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalNano Letters
dc.contributor.institutionBeijing Key Lab of Nanophotonics & Ultrafine Optoelectronic Systems and School of Physics, Beijing Institute of Technology, Beijing 100081, China
kaust.personZhang, Yongyou
kaust.personZhang, Qingyun
kaust.personSchwingenschlögl, Udo
dc.date.published-online2017-10-17
dc.date.published-print2017-11-08


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