The Structural, Electronic and Magnetic Properties of ARu2Sb2 (A=Sr, Ba)
The structural, electronic and magnetic properties of ThCr2Si2-type compounds ARu2Sb2 (A=Sr, Ba) with space group I4/mmm (139) were studied by means of Full Potential – Linearized Augmented Plane Wave Method (FP-LAPW) method by using WIEN2K code. The necessary input parameters to perform the ab-initio calculation for ARu2Sb2 (A=Sr, Ba) are taken from ARu2As2 (A=Sr, Ba). To our knowledge the properties of these compounds have not been investigated before. From this work the optimized structural parameters, bulk modulus, electronic specific heat coefficient, Fermi energy, Magnetic moment are obtained and for ARu2Sb2 (A=Sr, Ba). Density of States histograms and Electron density plots are also plotted to analyze the bonding nature between the atoms in these compounds.
D. Rajan Babu
D.S. Jayalakshmi and M. Sundareswari, "The Structural, Electronic and Magnetic Properties of ARu2Sb2 (A=Sr, Ba)", Advanced Materials Research, Vol. 584, pp. 187-191, 2012