Band Structure Calculation of AgCd and AgZn Intermetallics
Volume: 3 - Issue: 05 - Date: 01-05-2014
Approved ISSN: 2278-1412
Published Id: IJAECESTU359 | Page No.: 324-326
Author: Neetu Paliwal
Co- Author: Vipul Srivastava
Abstract:-The electronic band structure of non magnetic AgCd and AgZn intermetallic
compounds, which crystallize in the CsCl-type (B2
phase) structure was studied by means of the
self-consistent tight binding linear muffin tin orbital method at ambient conditions. The total
energies are computed as a function of volume and fitted to the Birch equation of state. The
ground state properties such as the equilibrium lattice parameter; the bulk modulus and the
cohesive properties of these compounds are calculated.
Key Words:-TB-LMTO; Inter-metallic compounds; Electronic band structure.
Area:-Engineering
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