Etude Numérique des propriétés thermodynamiques des alliages Full-Heusler de type Rh2YIn (Y=Sm, Gd, Tb) pour la conversion Magnéto calorique

Abstract

Saving energy is an important topic of our time, finding materials with thermal properties is a solution, especially for air conditioners today, where the specific properties of each material are needed to have a synergistic effect in each case. Energy production itself stimulates the development of new materials, production sectors like nuclear power or future technologies like magnetic refrigeration. A complete understanding of the properties of materials is necessary for scientific interest and industrial applications in these new fields. This study is intended for the large families of materials suitable for this application and for the procedures it has used to anticipate its response. The magnetic, structural, electronic and thermodynamic properties of Full Heusler alloys Rh2Yin (Y=Sm, Gd, Tb) were studied using ab-inition methods using the linearized augmented plane wave (FP-LAPW) method, applied in the Wien2k code, adopting the Local Density Approximation (LDA) and the generalized gradient approximation formulated by Wu-Cohen (GGA-WC) and the Debye quasi-harmonic model applied in the Gibbs2 code. It was found that the magnetic results are of ferromagnetic type, with magnetic moments are approximately 5.32322,, 6.91201, and 5.89599, for the Y = (Sm, Gd, Tb) respectively. On the other hand, the thermodynamic properties are predicted in the temperature range from 0 to 1200 °K and zero constant pressure 0 GPa, which translates that our alloys are good condidas for Magnetic Refrigeration.