WITHDRAWN: Effect of magnetostrictive coupling on the magnetic properties of TbFe2: ab initio study

Abstract

• Elastic and magnetoelastic constants governing the amorphous TbFe 2 have been computed, and strains on crystal lattice have been studied. • Ferromagnetic interaction between Tb atoms has been found and the 111-direction is revealed to be the easy axis of the magnetization. • XMCD and XAS spectra show a large sensitivity on magnetic and elastic properties. Density functional theory (DFT) within the GGA approach is applied to investigate the electronic, elastic and magnetic properties of the amorphous TbFe 2 alloy. We found that TbFe 2 exhibits a trigonal R3̅m structure at T=0 K with lattice constants a = b = c = 5.15 Å, and α = β = γ = 60.14°. This structure can undergo elastic deformations that affect the TbFe 2 properties. The electronic properties analysis revealed a magnetic behavior and a metallic character. Therefore, to investigate the elastic and magnetic properties of TbFe 2 , the elastic and magnetoelastic constants governing the system are determined before studying the effects of applied strains on the crystal lattice. The results reveal a redistribution of Tb and Fe magnetic moments along the a-and c-axis. Moreover, a ferromagnetic interaction between the Tb atoms is found, and the [111] direction is the easy axis of the magnetization. Furthermore, the XMCD and XAS spectra of TbFe 2 in normal and deformed cases show significant magnetic and elastic properties sensitivity.