Theoretical investigation of the structural, electronic, and elastic properties of TM3In(TM = Pd and Pt) intermetallic compounds

We present a systematic study of the structural, elastic, and electronic properties of TM3In(TM = Pd and Pt) intermetallic compounds using density functional theory via a full-potential linearized augmented plane wave approach in the context of the Perdew-Burke-Ernzerhof generalized gradient approximation. We investigate the elastic constants, partial and total density of states (DOS), and charge density. Our structural study shows that the compounds have a cubic crystal with space group Pm-3m in phase I. In addition, we have calculated the formation energy and the DOS at the Fermi level [N(E-f)]. The results indicate that Pd3In is more stable than Pt3In.