Stability and electronic structure of GaN nanotubes from density-functional calculations

An ab initio Study of a Model of Single Wall GaN Nanotubes with Oxygen and Zinc as Impurities: Structural and Electronic Properties

“…This value is slightly higher than that of zinc blende (ZB) GaN reported in Ref. [3]. This again ensures the possibility of GaN SWNT formation.…”

“…ZnO nanowires, grown on sapphire wafers, were used as templates for epitaxial overgrowth of thin GaN layers in a chemical vapor deposition (CVD) system. The result of electron diffraction measurements showed that the nanotubes obtained in this way are single-crystal, and in this respect they are fundamentally different from theoretically simulated GaN nanotubes [3] with the conventional tubular forms of carbon atoms [4]. These nanotubes were studied by transmission electron microscopy, which showed that they have inner diameters of 30-200 nm and wall thicknesses of 5-50 nm.…”

Gallium Nitride Nanotube and its Application as Transistors

“…The armchair configurations have been found to have lower energy compared other configurations. The bandgap of the nanotubes also depend on chirality [9]. Spin effects on the nanotubes are also considered for analysis.…”

A computational NPA and NMR study of Li-capped armchair GaN nanotubes

“…The stability and electronic properties of singlewalled GaN nanotubes have been studied by firstprinciple calculations which ensured their synthesis in 1999 [3]. Recently, GaN nanotubes (GaNNTs) were synthesized by an epitaxial casting approach by Yang and co-workers in 2003 [4].…”

“…Recently, GaN nanotubes (GaNNTs) were synthesized by an epitaxial casting approach by Yang and co-workers in 2003 [4]. Theoretical investigations have indicated that larger-diameter GaNNTs have a band gap of about 2 eV [3]. Experimental and theoretical investigations indicate that Li-doped carbon nanotubes can be used for hydrogen storage and indeed the dopant actually enhances storage capacities at ambient pressure and temperature [5][6].…”