https://doi.org/10.1140/epjd/e2005-00162-1
Metal encapsulated nanotubes of germanium with metal dependent electronic properties
1
Institute for Materials Research, Tohoku University, Aoba-ku, Sendai 980-8577, Japan
2
Dr. Vijay Kumar Foundation, 45 Bazaar Street, K. K. Nagar (West), Chennai 600 078, India
Corresponding author: a abhishek@imr.edu
Received:
6
September
2004
Published online:
13
July
2005
Using ab initio total energy calculations we demonstrate that the nanotubes of germanium with atomic structure based on an alternate prism and antiprism stacking of hexagonal rings, can be stabilized by metal encapsulation. The V or Nb doped infinite nanotube is metallic. However, Mo doping leads to the formation of a metal encapsulated direct band gap semiconducting nanotube of germanium. These nanotubes with metal dependent electronic properties could prove to be vital for the development of future nanotechnologies.
PACS: 73.22.-f – Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals / 61.46.+w – Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals / 31.15.Ar – Ab initio calculations
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2005
