We investigated different AlN nano-systems using spectroscopic methods. Experiments were performed at the Synchrotron Radiation Facility of the Laboratori Nazionali di Frascati using both XANES (x-ray absorption near edge spectroscopy) and FTIR (Fourier transform infrared spectroscopy) techniques in order to investigate materials with both interesting tribological and electronic properties. Comparisons have been performed between measurements by standard x-ray diffraction (XRD) and x-ray absorption (XRS) at the K-edge of Al, a spectroscopy method sensitive to the local order and correlated to the local and empty density of states of this wide band-gap semiconductor. Preliminary XAS simulations at the Al K edge are also presented. Correlations between XRD and XAS have been drawn, since x-ray absorption reveals structural information complementary to that addressed by x-ray diffraction. Moreover, a comparison has been performed by infrared (IR) absorption both in the mid- and in the far-IR ranges between different AlN forms: namely, powders, nanoparticles and nanotubes. Data clearly show changes connected with the electronic properties and the optical phonon modes of AlN nano-systems.
J. Phys.: Condens. Matter 18 (2006) S2095–S2104

Abstract. Four models of single-walled AlN nanotubes (NTs), which possess (i) two different chiralities (armchair or zigzag type) and (ii) two different uniform diameters for both types of NTs (1 or 6 nm) have been constructed, in order to analyse the dependence of their properties on both morphology and thickness. Periodic one-dimensional (1D) DFT calculations performed on these models have allowed us to analyse how the chirality and curvature of the NT change its properties as compared to both AlN bulk with either wurtzite or zinc-blende structures and their densely packed surfaces. We have found that the larger the diameter of the AlN NT, the smaller the width of its bandgap, the strengths of its bonds and the charge separations in them. This confirms the recent experimental finding of the possibility to adjust electronic properties in ultimate nanoscale optoelectronic devices produced from AlN and other group III nitrides.
J. Phys.: Condens. Matter 18 (2006) S2045–S2054