Structural And Electronic Properties Of Non-magnetic Intermetallic Yauz (z= Ge, Si, Pb) And Topological Quantum Phenomena In Cubic Phase

Résumé: The structural and electronic properties of non-magnetic intermetallic YAuX (X= Ge, Si) crystallised in hexagonal phase have been investigatedusing full potential linearized augmented-plane wave (FP-LAPW) method based on the spin density functional theory, within the generalized gradient approximation (GGA). The calculated lattice parameter and the bulk modulus are in a good agreement with experiment. Also, we have determined the structural and electronic properties of the non-magnetic half Heusler YAuPb compound including the artificial YAuX (X= Ge, Si) calculated in cubic phase, to extended our search for topological insulators materials. We found that the half-Heusler YAuPb candidate compound and artificial cubic strucure of ternary YAuGe and YAuSi alloys have several different paradigms of trivial and non-trivial topological ordering, including an intrinsically metallic nontrivial topological states in YAuPb (discovered by H. Lin et al) and semiconductor trivial topological states inYAuGe as well as the insulator trivial topological states in YAuSi.

Publié dans la revue: Journal of Materials, Processes and Environment