Document Type : Original Article

Authors

• maryam eliasi ¹
• Ali Mokhtari ²

¹ Shahrekord university

² Associate professor-Shahrekord University

Abstract

Heusler alloys have attracted much attention due to their unique electronic structure. Most of the researches on the Heusler compounds to date, has involved structures that contain transition elements. Recently, quaternary Heusler compounds without the presence of transition metals have attracted attention both from an experimental and a theoretical point of view. We have applied the first-principle method to investigate the structural, electronic, and magnetic properties of the KYBX(Y=Ca or Sr, X=S or Se) quaternary heusler compounds. The results of our calculations showed that these compounds are ferromagnetic. After examining the different arrangements of atoms in these compounds, it has been determined that the type I of these structures is the most stable configuration. The electronic properties of these alloys indicate that they have a magnetic moment of 2 μB and are magnetic semi-metals with 100% spin polarization at the Fermi level. Their semi-metallic property primarily originates from the p orbitals of B atoms. These compounds are suitable for spintronic applications.

Keywords

• Quaternary Heusler compounds
• Density Functional Theory
• Structural properties
• Electronic properties

Main Subjects

• Condensed Matter Physics