Electronic band structure of helical iodine chains

Dmitry Rybkovskiy, Alexander Osadchy, Elena Obraztsova

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

The electronic band structure of helical iodine chains was calculated within the empirical tight binding approach. The screw symmetry of the system was used to reduce the size of the problem to a single atom with four atomic orbitals. The overlap parameters were fitted to reproduce the DFT results for a linear iodine chain. The obtained results for helical chains have shown the energy band splitting due to the overlap between p orbitals introduced by the structure twisting. The splitting magnitude depends on the pitch of the helix.

Original languageEnglish
Pages (from-to)2608-2611
Number of pages4
JournalPhysica Status Solidi (B) Basic Research
Volume249
Issue number12
DOIs
Publication statusPublished - Dec 2012
Externally publishedYes

Keywords

  • Atomic chains
  • Electronic structure
  • Iodine
  • Nanotechnology
  • Nanotubes
  • Tight binding

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