J. Phys. IV France 7 (1997) C2-169-C2-170
Determination of Muffin-Tin Potential by XANESYu.F. Migal1, I.Ya. Nikiforov2 and I.V. Bazhin1
1 Dept. of Physics, Don State Technical University, Gagarin Sq. 1, Rostov-on-Don 344010, Russia
2 Dept. of Physics, Don State Technical University, Gagarin Sq. 1, Rostov-on-Don 344010 Russia
A scheme of the MT-potential construction by using experimental data is proposed. It is based on the inverse problem solution in the theory of many-centre shape resonances. Input data are positions Ei and widths Γi of maxima in XANES corresponding to shape resonances. The MT potential within atomic spheres is considered in the form Vat(r)+∑n an rn where Vat is a given atomic potential, and the coefficients an are chosen so that calculated and experimental characteristics of resonances are close at most.
© EDP Sciences 1997