Investigation on Mechanical Properties of Mn3Sb Intermetallic Compound
O. Boubaker and B. Said
Université Ferhat Abbas SETIF 1, Laboratoire d'Elaboration de Nouveaux Matériaux et Caractérisations (ENMC), Département de Physique, Sétif, Algeria
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In this work, ab initio calculation has been performed to investigate the structural, elastic and mechanical properties of Mn3Sb intermetallic compound, based on density functional theory plane-wave pseudo potential method within local density approximation and generalized gradient approximation. The calculated structural parameter in both approximations of Mn3Sb compound is consistent with the experimental data. The elastic constants were determined from a linear fit of the calculated stress-strain function according to the Hooke law. From the elastic constants, the bulk modulus B, shear modulus G, the Young modulus E, the Poisson ratio σ, anisotropy factor A and the ratio B/G for Mn3Sb compound are obtained. This is the first quantitative theoretical prediction of these properties.

DOI: 10.12693/APhysPolA.130.33
PACS numbers: 71.20.Lp, 62.20.-x, 31.15.A-