Evaluation of electronic and optical behavior of the interface of Co₂FeAl/AlN heusler alloy

Abstract

Based on the density functional theory, the electronic, optical, and structural properties of the Co2FeAl/AlN Interface have been studied. It is shown that the Co2FeAl compound is a half-metal with 100% spin polarization at the Fermi level, and the growth of this compound on the AlN semiconductor changes its stability. The best interface connection from the point of view of stability occurs in the Co-Co-Al case, which has a semi-metallic and spin polarization of the interface, which candidate it for spintronic applications. The optical properties of this interface show that it can benefit medical and sensor devices because of its anisotropic optical properties at low energies. In the infrared, visible, and ultraviolet ranges, the optical energy loss functions are zero or very little, which referred to its candidate for optical applications in these energy ranges.

Crystal structure, stability, and transport properties of Li2BeAl and Li2BeGa Heusler alloys: a DFT study

“…The lattice constant of semi-metallic Ir 2 CrSi exhibits 100% spin polarization at the Fermi level, while Ir 2 CrGe has 99% spin polarization at the Fermi level, making these alloys suitable for spintronic devices. Lahoupour et al 12 investigated the Co 2 FeAl/AlN using DFT methods. Studies of the composition of Co 2 FeAl showed that it is a semi-metal that has 100% polarization at the Fermi level.…”