X-Ray Absorption Near Edge Spectra for CdTe - Theoretical Study
J. Oleszkiewicz, R. Markowski and A. Kisiel
Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków, Poland
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The theoretical band structure of the CdTe was calculated using conventional, ab initio, self-consistent, relativistic LMTO method. The projected density of states and the dielectric function were produced within the local density approximation. Spin-orbit coupling was included in the perturbation approach. X-ray absorption spectra for the Cd L1,3- and Te L1,3-edges were calculated and the results compared with experimental data. The teoretical results were obtained from the calculations with inclusion of k-dependent transition matrix elements, spin-orbit coupling, extended set of basis functions and finite lifetime of initial and final states. They were compared with other calculations which use common constant matrix element approximation. The work presents final conclusion concerning validity of using constant matrix element approximation within one-electron scheme.
DOI: 10.12693/APhysPolA.82.323
PACS numbers: 78.70.Dm, 78.20.Bh, 78.20.Dj