کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1555614 1513671 2008 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Optical properties of some laves phases compounds
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد شیمی مواد
پیش نمایش صفحه اول مقاله
Optical properties of some laves phases compounds
چکیده انگلیسی
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 (EF) 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(EF). 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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Current Opinion in Solid State and Materials Science - Volume 12, Issues 3–4, June–September 2008, Pages 39-43
نویسندگان
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