The electronic structure of B2-YCu and YRh intermetallic compounds which crystallize in the CsCl structure has attracted the attention of the scientific world because of their excellent mechanical properties. The advantage of studying these materials is to answer of some industrial request in the materials that resist for high temperature and high oxidation resistance. However, high ductility has been observed in these compounds at room temperature. In this present work, we employed ab initio calculation methods while basing on the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory implanted in the Wien-2 k code, which is used to examine the various properties of these materials (YCu, YRh) like structural, electronic, and elastic properties. The results obtained are in good agreement with those found in other theoretical studies and experimental data.
Part of the book: Intermetallic Compounds