Workshop dedicado a Mariana Weissmann: Resumenes de los Posters y Charlas Invitadas

Theoretical Study of Isomer Shifts on Intermetallics Compounds, FeX (X=Ti, V, Cr, Mn and Co)

E.L. Peltzer y Blancá¹, F. Dominguez¹, F.H. Sanchez² and F. Cabrera²
¹ Grupo de Estudio de Materiales y Dispositivos Electrónicos (GEMyDE), Dept. de Electrot., Fac. de Ingeniería, UNLP, Instituto de Física de Líquidos y Sistemas Biológicos, (IFLYSIB-CONICET-UNLP), CC565,1900 La Plata, Argentina,
² Departamento de Física, Facultad de Ciencias Exactas, UNLP, CC67, 1900 La Plata, Argentina.

Abstract

By means of the Full Potential LAPW we have done self consistent calculations for FeTi, FeV, FeCr, FeMn, Fe-bcc and FeCo in the B2 structure, and additionally for Fe-fcc. Isomer shifts ( $\delta_{IS}$ ) were obtained from electron density calculation in the previously mentioned compounds. These values are in good agreement with experimental data which are not always available. Structural parameters as lattice constants and Bulk Modulus, were also calculated. The errors in the parameters calculated were 1 % or 2 % respect to experimental values.

contact:<eitel@iflysib.unlp.edu.ar>

En las fronteras de la Materia Condensada

Workshop dedicado a Mariana Weissmann

Abstract