Electron correlation effects on the magnetostructural transition and magnetocaloric effect in Gd5Si2Ge2

Electron correlation effects on the electronic structure of Gd5Si2Ge2 have been studied using the tight binding linear muffin-tin orbital method within the framework of the local spin density approximation with the Coulomb correlation parameter approach. The magnetostructural transition temperature (T-M) and the magnetocaloric effect (isothermal magnetic entropy change, Delta S-M) have been calculated using this method by applying the scalar relativistic band theory and the nonlocal exchange correlation parametrization of the exchange correlation potential together with a magnetothermodynamic model. Both T-M and Delta S-M are in good agreement with experimental values.