On the electronic structure of WS2 nanotubes

Gotthard Seifert, Humberto Terrones, Mauricio Terrones, Gerd Jungnickel, Thomas Frauenheim

Research output: Contribution to journalArticlepeer-review

106 Scopus citations

Abstract

Electronic properties of WS2 nanotubes have been studied using the Density Functional Based Tight Binding method (DFTB). We show that WS2 nanotubes are all semiconducting possessing a non zero moderate gap. Only for zig-zag (n, 0) nanotubes the band gap tends to vanish for very small tube diameters (<10 angstroms). The (n, n) tubes exhibit an indirect gap of similar size as the direct gap in (n, 0) nanotubes of comparable diameter.

Original languageEnglish (US)
Pages (from-to)245-248
Number of pages4
JournalSolid State Communications
Volume114
Issue number5
DOIs
StatePublished - Apr 11 2000

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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