Ссылки

DOI

We have proposed the atomic models and carried out band structure calculations for single-walled armchair (n,n) and zigzag (n,0)-like β-ZrNCl-based nanotubes. Their electronic properties and interatomic bonds are considered as a function of the tubes composition and atomic structure and compared with those of the corresponding planar stripes. The possible effect of partial chlorine deintercalation on the electronic properties of β-ZrNCl1-x-based nanotubes is also discussed. It was found that owing to electron doping ZrNCl tubes transform into a metallic state, which will be significant for superconductivity.
Язык оригиналаАнглийский
Страницы (с-по)85-90
Число страниц6
ЖурналChemical Physics Letters
Том387
Номер выпуска1-3
DOI
СостояниеОпубликовано - 1 мар. 2004

    Предметные области ASJC Scopus

  • Физика и астрономия в целом
  • Physical and Theoretical Chemistry

    Предметные области WoS

  • Химия, Физическая
  • Физика, Атомная, молекулярная и химическая

ID: 43758784