title: Analysis of X-ray absorption spectra of the K and L2,3 edges of GaN within the FP-LAPW method.
abstract: Gallium nitride, GaN, is a semiconductor material with several technological applications. In this work we obtain ab initio XANES spectra using FP-LAPW method within the DFT formalism using different potentials (LDA, PBE and TB-mBJ) in order to study the electronic properties of the system. The spectra calculated using the effect of the fractional core hole were compared with experimental data obtaining a very good agreement.
authors: FaMAF, Universidad Nacional de Córdoba, Córdoba, Argentina. Electronic address: grad@famaf.unc.edu.ar.
authors: Gabriela B
authors: GB
authors: Grad
authors: FaMAF, Universidad Nacional de Córdoba, Córdoba, Argentina. Electronic address: bonzie@famaf.unc.edu.ar.
authors: Edgardo V
authors: EV
authors: Bonzi
keywords: Ab-initio calculations; Electronic structure; Fractional core hole; K and L(2,3) edges; XANES spectra