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  1. 1 Acta Physica Polonica A

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  1. 1 2016

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  1. 1 Boubaker O.

  2. 1 Said B.

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Investigation on Mechanical Properties of Mn₃Sb Intermetallic Compound

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Boubaker O., Said B.
Acta Physica Polonica A
|
2016
|
vol. 130
|
issue 1
33-35
EN
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.
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