Investigation on Mechanical Properties of Mn_{3}Sb 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 |

Full Text PDF |

In this work, ab initio calculation has been performed to investigate the structural, elastic and mechanical properties of Mn_{3}Sb 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 Mn_{3}Sb 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 Mn_{3}Sb 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- |