• Khelfaoui, Friha

Abstract

<jats:p> Full-Heuslers are a group of materials that have repeatedly attracted the curiosity of scientists and researchers, especially for their use in the field of spintronics. In this work, we undertook a study on the structural, elastic, electronic, magnetic and thermodynamic properties of the full-Heusler Mn<jats:sub>2</jats:sub>OsGe alloy using the calculations of the first principles. Two approximations are used: the generalized approximation of the Perdew–Burke–Ernzerhof GGA–PBE gradient for electron-correlation exchange and the new modified Tran-Blaha form of the modified Becke-Johnson mBJ–GGA-PBE potential. As important results, we found that the compound Mn<jats:sub>2</jats:sub>OsGe is stable in the CuHg<jats:sub>2</jats:sub>Ti structure; on the other hand, we could also verify its mechanical stability at zero temperature and pressure. For the calculation of the electronic properties, we were able to determine the half-metallic ferrimagnetic character of our compound, which exhibits a metallic behavior in the state of the majority spins, and a semiconductor behavior in the state of the minority spins. An integer value of 2[Formula: see text][Formula: see text] has been recorded for a magnetic moment and this conforms to the Slater–Pauling rule. </jats:p>

Topics

• impedance spectroscopy
• compound
• semiconductor