Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
8203920 | Physics Letters A | 2018 | 6 Pages |
Abstract
The strain dependent electronic structures, thermoelectric and topological properties of the half-Heusler compounds ZrIrX(X=As, Sb, Bi) are investigated by the first-principle calculations. At the equilibrium lattice constants, all the three compounds are trivial insulators and good thermoelectric materials with the Seebeck coefficient S and the power factor over relaxation time S2Ï/Ï as large as 1180 (μV/K) and 4.1 (1011Wmâ1Kâ2sâ1), respectively. The compressive strain enhances the band gap, while the tensile strain decreases the band gap. At some specific tensile strains, the compounds become Dirac-semimetals, with the s-type band Î6 below p-type band Î8, in the cubic phase. When we compress the a(b)-axis and elongate the c-axis of the compounds, they become the type-I Weyl semimetals. For ZrIrAs, the eight Weyl-Points (WPS) locate at (± Kx, 0, ± Kz), (0, ± Ky, ± Kz), Kx=Ky=0.008Ã
â1, Kz=0.043Ã
â1.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Minping Zhang, Junhong Wei, Guangtao Wang,