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VOLUME 113 | ISSUE 5 | PAGE 326
Calculations of structural, elastic and magnetic properties of the novel full Heusler alloys Ru2XY (X = Nb, Mn) and (Y = Te, Sb)
Abstract
The electronic, elastic and magnetic properties of the new Full Heusler alloys Ru2XY with (X = Nb, Mn) and (Y = Te, Sb) are investigated using the Full Potential Nonorthogonal Local-Orbital minimum basis method (FPLO) in the framework of Density Functional Theory (DFT). The calculated magnetic moments of Ru2MnSb and Ru2MnTe compounds are 4.017 and 4.835 μB respectively. Several mechanical parameters are evaluated including bulk modulus (B), shear modulus (G), anisotropy factor (A), Young's modulus (E), and Poison's ratio (ν). The magnetic properties of these compounds are investigated under high pressure up to nearly 70 GPa. It is noticed that these compounds preserve its metallic and ferromagnetic behavior under different pressures. Ru2MnTe, Ru2NbSb, and Ru2NbTe are hypothetical magnetic compounds