Eur. Phys. J. Plus (2021) 136: 1009
https://doi.org/10.1140/epjp/s13360-021-01968-x

Regular Article

Spin-polarized electromagnetic and optical response of full-Heusler Co₂VZ (Z = Al, Be) alloys for spintronic application

¹ Department of Physics, Riphah International University, Lahore, Pakistan
² Physics Department, Science College, Al-Muthanna University, 66001, Samawh, Iraq
³ Department of Physics, University of Management and Technology, Lahore, Pakistan
⁴ Department of Physics, University of Education, Lahore, Pakistan

^g masoodyousaf1@gmail.com

Received: 10 May 2021
Accepted: 16 September 2021
Published online: 7 October 2021

Abstract

Magnetic materials with high spin polarization emerge as a potential candidate in spintronic applications. The present work reports the theoretical investigation of spin-polarized electronic, structural, magnetic, and optical properties of full-Heusler Co₂VZ (Z = Al, Be) alloys calculated with full-potential linearized augmented plane wave method implemented in WIEN2k code. The spin orbital coupling effect is employed, and the structures are optimized at their ground state and lattice constants and bulk moduli are calculated. A metallic behavior is observed in the majority spin carriers, and an n-type semiconducting behavior is observed in the minority spin carriers for both alloys with generalized gradient approximation. A band gap of 0.55 eV and 0.41 eV is observed in the minority spin carriers with modified Becke–Johnson (mBJ) exchange potential for Co₂VAl and Co₂VBe, respectively. It shows 100% spin polarization at Fermi level with mBJ potential and confirms the half metallic nature of these alloys. The structure stability is confirmed with phonon dispersion curves. The calculated magnetic moments show the major contribution of cobalt (Co) atoms in the overall magnetic behavior of both alloys. In addition, the optical parameters such as real and imaginary parts of dielectric function, refractive index, extension coefficients, optical conductivity, absorption coefficients and energy loss are also calculated. The existence of complete spin polarization endorses these alloys as a promising candidate for spintronic and opto-electronic devices.