Zero-field-splitting in triplet-state nanotubes

Péter Szakács, A. Szabados, P. Surján

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Zero-field-splitting parameters D and E are evaluated for various excited triplet carbon nanotubes. For cylindrical (Cnv) tube geometries only parameter D is nonzero. Parameter E is nonvanishing either for chiral tubes which lack Cnv symmetry, or for those excited states of achiral tubes, which loose Cnv symmetry due to Jahn-Teller distortion. The splitting is found to decrease with increasing tube length and tube diameter. The decay is fast and tends to zero if the excitation affects surface-type states, while D approaches a nonzero limit if the open shell orbitals are of bulk character.

Original languageEnglish
Pages (from-to)292-295
Number of pages4
JournalChemical Physics Letters
Volume498
Issue number4-6
DOIs
Publication statusPublished - Oct 8 2010

Fingerprint

Crystal symmetry
Nanotubes
atomic energy levels
nanotubes
tubes
Jahn-Teller effect
Electron tubes
Carbon Nanotubes
Excited states
Geometry
symmetry
excitation
carbon nanotubes
orbitals
decay
geometry

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Zero-field-splitting in triplet-state nanotubes. / Szakács, Péter; Szabados, A.; Surján, P.

In: Chemical Physics Letters, Vol. 498, No. 4-6, 08.10.2010, p. 292-295.

Research output: Contribution to journalArticle

@article{6ffb9c9244a74f779efa3dbba3fbb117,
title = "Zero-field-splitting in triplet-state nanotubes",
abstract = "Zero-field-splitting parameters D and E are evaluated for various excited triplet carbon nanotubes. For cylindrical (Cnv) tube geometries only parameter D is nonzero. Parameter E is nonvanishing either for chiral tubes which lack Cnv symmetry, or for those excited states of achiral tubes, which loose Cnv symmetry due to Jahn-Teller distortion. The splitting is found to decrease with increasing tube length and tube diameter. The decay is fast and tends to zero if the excitation affects surface-type states, while D approaches a nonzero limit if the open shell orbitals are of bulk character.",
author = "P{\'e}ter Szak{\'a}cs and A. Szabados and P. Surj{\'a}n",
year = "2010",
month = "10",
day = "8",
doi = "10.1016/j.cplett.2010.08.064",
language = "English",
volume = "498",
pages = "292--295",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "4-6",

}

TY - JOUR

T1 - Zero-field-splitting in triplet-state nanotubes

AU - Szakács, Péter

AU - Szabados, A.

AU - Surján, P.

PY - 2010/10/8

Y1 - 2010/10/8

N2 - Zero-field-splitting parameters D and E are evaluated for various excited triplet carbon nanotubes. For cylindrical (Cnv) tube geometries only parameter D is nonzero. Parameter E is nonvanishing either for chiral tubes which lack Cnv symmetry, or for those excited states of achiral tubes, which loose Cnv symmetry due to Jahn-Teller distortion. The splitting is found to decrease with increasing tube length and tube diameter. The decay is fast and tends to zero if the excitation affects surface-type states, while D approaches a nonzero limit if the open shell orbitals are of bulk character.

AB - Zero-field-splitting parameters D and E are evaluated for various excited triplet carbon nanotubes. For cylindrical (Cnv) tube geometries only parameter D is nonzero. Parameter E is nonvanishing either for chiral tubes which lack Cnv symmetry, or for those excited states of achiral tubes, which loose Cnv symmetry due to Jahn-Teller distortion. The splitting is found to decrease with increasing tube length and tube diameter. The decay is fast and tends to zero if the excitation affects surface-type states, while D approaches a nonzero limit if the open shell orbitals are of bulk character.

UR - http://www.scopus.com/inward/record.url?scp=77957316672&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77957316672&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2010.08.064

DO - 10.1016/j.cplett.2010.08.064

M3 - Article

AN - SCOPUS:77957316672

VL - 498

SP - 292

EP - 295

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 4-6

ER -