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Band structure approach to resonant x-ray scattering
I S Elfimov1, N A Skorikov, V I Anisimov
1Laboratory of Applied and Solid State Physics, Materials Science Center, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.
Physical Review Letters
|January 22, 2002
Summary
Forbidden x-ray Bragg peaks in Germanium (Ge) become observable at resonance due to p-d hybridization in conduction band states. This resonance behavior quantifies the hybridization, agreeing with experimental data.
Area of Science:
- Solid State Physics
- Materials Science
- X-ray Spectroscopy
Background:
- Forbidden x-ray Bragg peaks in Germanium (Ge) are typically unobservable.
- Resonant dipole scattering approximations do not account for these peaks, even with nonlocal band states.
Purpose of the Study:
- To investigate the resonance behavior of forbidden 600 and 222 x-ray Bragg peaks in Ge.
- To determine the conditions under which these forbidden peaks become allowed.
- To establish a method for quantifying p-d hybridization in materials.
Main Methods:
- Analysis of x-ray Bragg peak behavior in Germanium.
- Theoretical modeling of resonant scattering.
- Comparison of theoretical predictions with experimental results.
Main Results:
- Forbidden 600 and 222 x-ray Bragg peaks in Ge are observed to be allowed at resonance.
- The allowance of these peaks is attributed to the hybridization of p-like and d-like atomic states in the unoccupied conduction band.
- The energy dependence and phase of the resonant scattering directly measure the extent of p-d hybridization.
Conclusions:
- Resonant x-ray scattering provides a quantitative measure of p-d hybridization in Ge.
- The findings have implications for understanding electronic structures in materials lacking inversion symmetry, such as V2O3.