Electronic structure of aluminum nitride: Theory and experiment
نویسندگان
چکیده
We report the results of a vacuum ultraviolet (VIJV) study of single crystal and polycrystalline AlN over the range 4-40 eV and compare these with theoretical optical properties calculated from first principles using an orthogonalized linear combination of atomic orbit& in the local density approximation. The electronic structure of AIN has a two-dimensional (2D) character indicated by logarithmic divergences at 8.7 and 14 eV. These mark t.he centers of two sets of 2.D critical points which are associated wit-h N 2p 3 Al 3s transitions and Al = N -+ Al 3p transitions, respectively. A third feature is centered at 33 eV and associated with N &+A1 3d transitions.
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