Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
8004623 | Journal of Magnesium and Alloys | 2017 | 6 Pages |
Abstract
Structural, electronic, optical and magnetic properties of DyMg intermetallic compound are calculated by using the full potential linearized augmented plane wave (FP-LAPW) method employing density functional theory (DFT). The obtained optimized equilibrium lattice constant in stable structure of DyMg (B2 phase) with spin polarized calculations is 7.107âBohr and that without spin polarized calculations is 7.115âBohr. The electronic band structure and density of states plots show metallic character of DyMg. The energy-dependent components of dielectric function, refractive index, extinction coefficient, absorption spectra, optical conductivity, energy loss spectra and reflectivity are reported in the energy range 0-20âeV. In DyMg maximum absorption is observed in the range 4-11âeV. The highest optical conductivity peak is observed near 0.78âeV (1589.5409ânm) and maximum energy loss occurs at 11.90âeV which corresponds to ~2.8âHz in ultraviolet region. The obtained total magnetic moment shows that its value decreases with the increase in lattice parameter.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Meena Kumari, U.P. Verma,