XAS spectroscopy (XANES and EXAFS). Theoretical and experimental investigation of local atomic geometry and electronic structure in various types of condensed matter including:
diluted magnetic semiconductors (DMSs);
local distortion in multiferroic materials;
Mechanism of antitumor drug action;
Metal nanoparticles, magnetic fluids.
effects and properties under the study:
- 3D local geometry and electronic structure of condensed materials without long range order of atoms
- electronic structure (density of states, hybridization of electronic states and local dynamics of electrons) of condensed materials;
Coherent X-ray Scattering and Coherent X-ray Diffractive Imaging (CXDI).
Theoretical Methods:
Advanced theoretical analysis of X-ray Absorption Near Edge Structure (XANES) and DFT analysis;
Full multiple scattering XANES/EELS simulations (FEFF);
Non-muffin-tin Finite Difference method for XANES/EELS simulations (FDMNES).
Advanced DFT quantum chemistry calculations including geometry optimization (ADF, BAND);
Full-potential band structure calculations (Wien2k);
Advanced method for theoretical analysis of X-ray Absorption Near Edge Structure (XANES) to extract 3D(three dimensional) local atomic nanostructure at high resolution on the basis of multi-dimensional interpolation (FitIt);
