The Electronic and Thermodynamic Properties of Ternary Rare Earth Metal Alloys

Abstract

This article uses the FP-LAPW approach within the DFT method, and the quasi-harmonic Debye model to investigate the electronic and thermodynamic properties of intermetallic rare earth materials (such as SmInZn, SmInCd, and SmTlZn). Thermodynamic properties were determined by the quasi-harmonic Debye model, whereas the FP-LAPW approaches within DFT method were utilized to derive electronic properties. The calculated structural parameters and the available experimental data have been examined, and it was observed that there was a good agreement between available experimental and calculated values of structural parameters. The electronic behavior of SmInZn, SmInCd and SmTlZn compounds shows the metallic character. We have examined a few thermodynamic characteristics. All calculated characteristics were found to match experimental or theoretical calculations.