Journal of Physics Condensed Matter · 2006 · 37 citations · 22 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSolid State PhysicsSpectroscopyElectronic Band StructureX-ray Photoelectron SpectroscopyX-ray SpectroscopyElectron DensityElectronic Structure DeterminationEmbedded Atom ModelInelastic ScatteringScattering Experiments
We present an implementation of a method to determine different components of the local density of states in the presence of a core hole from inelastic x-ray scattering experiments.The only theoretical input needed beyond experimental data are the embedded atom transition matrix elements.In this work these matrix elements are calculated using a real-space multiple scattering approach.We apply the method to x-ray Raman scattering data for the boron K-edge in MgB 2 .The capability of the approach is demonstrated by separating the density of -, -and s-type states at the boron site in MgB 2 .
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Theoretical approaches to x-ray absorption fine structure
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Natural Sciences, Physics, Optics +10