FISI4720 Topics in Core Level Spectroscopy: Theory and Simulations
X-ray excitations of core electrons in solids, combined with a sensitive measurement of its effects, can give information about the local crystal and electronic structure, nature of bonding between ions (i.e., angle or length bonding), etc. This can be carried out using synchrotron radiation sources that allow the performance of different techniques which are known as core-level spectroscopies. Some examples are XAS (X-ray absorption spectroscopy), RIXS and REXS (Resonant inelastic and elastic X-ray scattering), nIXS (non-resonant inelastic X-ray scattering), XPS (X-ray photoelectron spectroscopy), etc. The physical interpretation of the obtained experimental data from such spectroscopies usually demands an elaborated theoretical framework and related computational tools. This guide course gives the student fundamental concepts about the current theoretical approaches used to interpret experimental data obtained from the core-level spectroscopies. The objective is that the student can calculate different core level spectroscopy types on solids using the free software Quanty, a quantum many body script language designed for such a purpose. Other software as CTM_4DOC and Crispy, which are graphic user interfaces for Quanty, will be used as well. Finalizing this course it is expected that the student can calculate different X-ray spectroscopy for BiFeO_3 and rare earth nickelates RNiO_3 (R = Sm, Nd, and La), which are the materials synthesized at the nanomagnetism laboratory and have been studied experimentally by the group under different core-level spectroscopies at synchrotrons.
Periodo en el que se ofrece el curso
202410
Idioma en el que se ofrece el curso
Español
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