Abstract

The γ-brass related phase CrZn17+δ(−0.75⩽δ⩽2.00) in the Cr–Zn binary system has been synthesized and the structure has been analyzed by powder and single crystal X-ray diffraction. The compound crystallizes in the cubic space group F4¯3m (216). The unit cell contains 400–403 atoms. The phase width arises due to a disorder phenomenon. The structure can be described as an arrangement of nested polyhedral units, centered at sites of high symmetry points. The phase melts incongruently at ∼744K. Electronic structure calculations, using the tight-binding linear muffin-tin orbital atomic spheres approximation (TB-LMTOASA) method on the model of ordered “Cr5Zn96” shows the presence of a pseudogap at the Fermi level in the electronic density of states curves.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call