Uranium is a member of Actinides and plays important role in nuclear science and technology. Electronicand structural investigations of actinide compounds attract major interest in science. The electronic structure an...Uranium is a member of Actinides and plays important role in nuclear science and technology. Electronicand structural investigations of actinide compounds attract major interest in science. The electronic structure andchemical bonding of coffinite USiO_4 are investigated by X-ray Absorption Fine Structure spectroscopy (XAFS). U L_3-edge absorption spectrum in USiO_4 is compared with U L_3-edge spectra in UO_2 and UTe due to their different electronicand chemical structures. The study presents XANES (x-ray Absorption Near-Edge Structure) and Extended XAFS(EXAFS) calculations of USiO_4 thin films. The full multiple scattering approach has been applied to the calculation ofU L_3 edge XANES spectra of USiO_4, UO_2 and UTe, based on different choices of one electron potentials according toUranium coordinations by using the real space multiple scattering method FEFF 8.2 code.展开更多
文摘Uranium is a member of Actinides and plays important role in nuclear science and technology. Electronicand structural investigations of actinide compounds attract major interest in science. The electronic structure andchemical bonding of coffinite USiO_4 are investigated by X-ray Absorption Fine Structure spectroscopy (XAFS). U L_3-edge absorption spectrum in USiO_4 is compared with U L_3-edge spectra in UO_2 and UTe due to their different electronicand chemical structures. The study presents XANES (x-ray Absorption Near-Edge Structure) and Extended XAFS(EXAFS) calculations of USiO_4 thin films. The full multiple scattering approach has been applied to the calculation ofU L_3 edge XANES spectra of USiO_4, UO_2 and UTe, based on different choices of one electron potentials according toUranium coordinations by using the real space multiple scattering method FEFF 8.2 code.
