【International Papers】Magnetic properties of defect induced β-Ga₂O₃: A first principles study

      The research team composed of Basirhat Erhat College and others contributed an article named Magnetic properties of defect induced in the scientific journal Sciencedirect β-Ga₂O₃: A first principles study paper article.

Abstract

      Electrical and magnetic properties of gallium vacancy (V_Ga) as well as 3d transition metal ion doped at gallium site (TM_Ga) in gallium oxide (β-Ga₂O₃) has been studied under the frame work of density functional theory. Ga vacancy in β-Ga₂O₃ shows p-type semiconducting behavior along with a ferromagnetic ordering. Spin-spin interaction study reveals that Fe, Ni and Cu substituted at the gallium site of β-Ga₂O₃ can induce significant amount of magnetic moment along with a stable ferromagnetic ordering. 2p orbital electrons of oxygen near the vacancy site give raise to the large magnetic moment in the gallium vacancy induced system. In the doped system, the 3d orbital electrons of the dopants are the main source of magnetism and a small contribution come from 2p electrons of oxygen. Bader charge analysis and the band-structure calculations have been carried out for all the systems. Gallium vacancy induced β-Ga₂O₃ could be a viable material for the spintronics applications.

Paper Link：https://doi.org/10.1016/j.cocom.2023.e00810