  The electronic structure of nanolaminate Ti2AlN and TiN thin films has been
investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured
Ti L, N K, Al L1 and Al L2,3 emission spectra are compared with calculated
spectra using ab initio density-functional theory including dipole transition
matrix elements. Three different types of bond regions are identified; a
relatively weak Ti 3d - Al 3p bonding between -1 and -2 eV below the Fermi
level, and Ti 3d - N 2p and Ti 3d - N 2s bonding which are deeper in energy
observed at -4.8 eV and -15 eV below the Fermi level, respectively. A strongly
modified spectral shape of 3s states of Al L2,3 emission from Ti2AlN in
comparison to pure Al metal is found, which reflects the Ti 3d - Al 3p
hybridization observed in the Al L1 emission. The differences between the
electronic and crystal structures of Ti2AlN and TiN are discussed in relation
to the intercalated Al layers of the former compound and the change of the
materials properties in comparison to the isostructural carbides.
