Theoretical prediction on aluminum nitride nanotubes

In an effort to search for new tubular nanostructures made of aluminum nitride (AlN), four model compounds, a diamond nanowire ( c-C 54), a carbon nanotube ( h-C 54), an AlN nanowire ( c-Al 27N 27) and an AlN nanotube ( h-Al 27N 27), were studied by using first-principle method. A shapely beautiful...

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Bibliographic Details
Published inChemical physics letters Vol. 371; no. 3; pp. 426 - 432
Main Authors Zhang, Dongju, Zhang, R.Q.
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 07.04.2003
Elsevier Science
Subjects
Cross-disciplinary physics: materials science; rheology
Exact sciences and technology
Materials science
Nanoscale materials and structures: fabrication and characterization
Physics
Geometrical structure
Density of states
Electronic structure
Frontier orbital
Aluminium nitrides
Bond angle
Nanotubes
Theoretical study
Carbon nanotubes
Molecular models
Nanostructured materials
Bond lengths
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Summary:In an effort to search for new tubular nanostructures made of aluminum nitride (AlN), four model compounds, a diamond nanowire ( c-C 54), a carbon nanotube ( h-C 54), an AlN nanowire ( c-Al 27N 27) and an AlN nanotube ( h-Al 27N 27), were studied by using first-principle method. A shapely beautiful AlN nanotube with a uniform diameter has been obtained in this work, which even rivals the carbon nanotube. The estimated band gap of this AlN nanotube is larger than that of the corresponding nanowire structure, different from those of carbon nanotubes with respect to diamond nanowires. The AlN nanotubes are expected to find novel applications in the nanotechnology area.
ISSN:0009-2614
1873-4448
DOI:10.1016/S0009-2614(03)00289-6