Work

Structural, electronic, magnetic and thermoelectric properties of Full-Heusler Fe2MnSi: Ab initio calculations

Year: 2020

Type: article

Abstract: The linear wave augmented plane waves method at full potential using the functional density theory and applying the approximation methods “GGA-PBE, PBE-sol, mBJ and GGA + U” has been used to investigate the electronic, thermoelectric, magnetic and transport properties of Full-Heusler Fe2MnSi. The optimized and the most stable crystal structure at equilibrium is face-centered cubic with space group and lattice parameters a = 5.591 Å. The half metallic character is observed with an indirect band gap. To determine the stability of this material, the elastic parameters have been computed. Moreover, the Seebeck coefficients and the electrical conductivity have been obtained. It is found that the spin polarization (SP) reaches 100% for Fe2MnSi due to its half metallic state.

Source: Results in Physics

DOI: 10.1016/j.rinp.2020.103252

Authors: Y. El Krimi, R. Masrour, A. Jabar, S. Labidi, M. Bououdina, M. Ellouze

Institutions: Sidi Mohamed Ben Abdellah University, Badji Mokhtar-Annaba University, University of Bahrain, University of Sfax, Faculty of Sciences of Sfax

Language: English

Topic: Heusler alloys: electronic and magnetic properties

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,000

OpenAlex ID: W3045536769

FWCI: 6.029

Cites: 57

Cited by: 61

Related to: 10