Full multiple scattering analysis of XANES at theCd L3andO Kedges in CdO films combined with a soft-x-ray emission investigation

Autor:	I. N. Demchenko, Wladek Walukiewicz, Paul Olalde-Velasco, Oliver Hemmers, Kin Man Yu, J. D. Denlinger, Derrick T. Speaks, A. Derkachova, Krystyna Lawniczak-Jablonska, Maryna Chernyshova
Rok vydání:	2010
Předmět:	Condensed Matter::Materials Science Materials science K-edge Scattering Ionic bonding Direct and indirect band gaps Atomic physics Thin film Condensed Matter Physics XANES Spectral line Electronic Optical and Magnetic Materials Pulsed laser deposition
Zdroj:	Physical Review B. 82
ISSN:	1550-235X 1098-0121
DOI:	10.1103/physrevb.82.075107
Popis:	X-ray absorption near edge structure (XANES) at the cadmium L3 and oxygen K 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 L3 edge of Cd and K 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 Cd-5s-O-2p. 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 {approx}2.4-eV and {approx}0.9-eV, respectively.
Databáze:	OpenAIRE
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