A comprehensive study of the electronic structure of group-III nitrides (AlN, GaN, InN, and BN) crystallizing in the wurtzite, zinc-blende, and graphitelike hexagonal (BN) structures is presented. A large set of the x-ray emission and absorption spectra was collected at the several synchrotron radiation facilities at installations offering the highest possible energy resolution. By taking advantage of the linear polarization of the synchrotron radiation and making careful crystallographic orientation of the samples, the bonds along c axis and “in plane” in the wurtzite structure could be separately examined. Particularly for AlN we found pronounced anisotropy of the studied bonds. The experimental spectra are compared directly with ab initio calculations of the partial density of states projected on the cation and anion atomic sites. For the GaN, AlN, and InN the agreement between structures observed in the calculated density of states (DOS) and structures observed in the experimental spectra is very good. In the case of hexagonal BN we have found an important influence of insufficient core screening in the x-ray spectra that influences the DOS distribution. The ionicity of the considered nitrides is also discussed.
1 November 2004 in Journal of Alloys and Compounds
The local order around Mn atoms in the Mn-implanted Si samples, with ferromagnetic properties, has been investigated by use of x-ray-absorption spectroscopy techniques. Analysis of both extended x-ray-absorption fine structure and x-ray absorption near-edge structure spectra clearly indicates that Mn ions are located neither in the substitutional nor in the interstitial position in the Si lattice, but depending on how the samples were prepared, they have five to eight near neighbors.
1 September 2019 in Journal of the European Ceramic Society
X-ray absorption near edge structure (XANES) at the cadmium and oxygen edges for CdO thin films grown by pulsed laser deposition method, is interpreted within the real-space multiple scattering formalism, FEFF code. The features in the experimental spectra are well reproduced by calculations for a cluster of about six and ten coordination shells around the absorber for edge of Cd and edge of O, respectively. The calculated projected electronic density of states is found to be in good agreement with unoccupied electronic states in experimental data and allows to conclude that the orbital character of the lowest energy of the conductive band is . The charge transfer has been quantified and not purely ionic bonding has been found. Combined XANES and resonant inelastic x-ray scattering measurements allow us to determine the direct and indirect band gap of investigated CdO films to be and , respectively.