Metal encapsulated nanotubes of germanium with metal dependent electronic properties

摘要: Using ab initio total energy calculations we demonstrate that the nanotubes of germanium with atomic structure based on an alternate prism and antiprism stacking hexagonal rings, can be stabilized by metal encapsulation. The V or Nb doped infinite nanotube is metallic. However, Mo doping leads to formation a encapsulated direct band gap semiconducting germanium. These dependent electronic properties could prove vital for development future nanotechnologies.