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Spin-polarized structural, electronic and magnetic properties of intermetallic Dy2Ni2Pb from computational study |
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| Authors: | Omar Arbouche,Yahia AzzazHanifi Bendaoud,Berrzoug Belgoumè neMohamed Driz,Hamza Abid |
| Affiliation: | a Applied Materials Laboratory, University of Sidi Bel Abbes, 22000, Algeria b University Taher Mouley of Saîda 20000, Algeria c Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes, Algeria |
| Abstract: | We report a first-principles study of structural, electronic and magnetic properties of ternary plumbides (rare earth-transition metal-Plumb) Dy2Ni2Pb crystallizes with the orthorhombic structure of the Mn2AlB2 type (space group Cmmm), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbital method within the frame work of spin-polarized density functional theory (SP-DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA). We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, total densities of states and magnetic properties. The calculated total magnetic moment is found to be equal to 9.52 μB. |
| Keywords: | (FP-LAPW+lo) method DyNiPb Dy2Ni2Pb Spin-electronic Magnetic moments Rare earth alloys |
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