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Optical properties of some laves phases compounds
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SYSNO ASEP 0342931 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Optical properties of some laves phases compounds Author(s) Reshak, Ali H (UEK-B)
Charifi, Z. (DZ)
Baaziz, H. (DZ)Number of authors 3 Source Title Current Opinion in Solid State & Materials Science. - : Elsevier - ISSN 1359-0286
Roč. 12, 3-4 (2009), s. 39-43Number of pages 5 s. Language eng - English Country GB - United Kingdom Keywords Optical properties ; FP-LAPW ; GGA ; EV-GGA Subject RIV BO - Biophysics CEZ AV0Z60870520 - UEK-B (2005-2011) UT WOS 000267393600001 DOI 10.1016/j.cossms.2008.09.001 Annotation 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. Workplace Global Change Research Institute Contact Nikola Šviková, svikova.n@czechglobe.cz, Tel.: 511 192 268 Year of Publishing 2011
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