Optical properties of some laves phases compounds

0342931 - ÚVGZ 2011 RIV GB eng J - Journal Article
Reshak, Ali H - Charifi, Z. - Baaziz, H.
Optical properties of some laves phases compounds.
Current Opinion in Solid State & Materials Science. Roč. 12, 3-4 (2009), s. 39-43. ISSN 1359-0286. E-ISSN 1879-0348
Institutional research plan: CEZ:AV0Z60870520
Keywords : Optical properties * FP-LAPW * GGA * EV-GGA
Subject RIV: BO - Biophysics
Impact factor: 4.000, year: 2009

The optical properties for laves phase compounds have been calculated within the farm work of the full-potential linearized-augmented plane wave. The generalized gradient approximation (GGA) and the Engel-Vosko-generalized gradient approximation (EV-GGA) were used. Our calculations show that these compounds are metallic with more bands cuts the Fermi energy (E-F) as we moving from Nb to Ta, Hf, Ti, in a consistent with the increasing the values of the density of states at Fermi level N(E-F). The optical properties were calculated with and without Drude term, we analyzed the imaginary part of the optical properties using our calculated electronic band structure. The ground state properties of these compounds such as equilibrium lattice constant, bulk modulus are calculated and compared with available literature. (C) 2008 Elsevier Ltd. All rights reserved.
Permanent Link: http://hdl.handle.net/11104/0185534