Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first-principles study

Abstract

This theoretical work presents the electronic and magnetic properties of Cr-doped SrFe 12 O 19 using first-principles calculations based on density functional theory. An improvement in the magnetic properties of SrFe 12 O 19 is predicted when doped with the Cr 3+ ion. It was found that the magnetic Cr 3+ ion preferentially replaces Fe 3+ ion at 2a, 4f 1 , and 12k sites. The calculation demonstrates that if Cr ion occupies the 4f 1 site, a total magnetization of 52.920 emu/g is obtained. On the other hand, SrFe 11.5 Cr 0.5 O 19 behaves as a semiconductor when Cr occupies the 2a and 12k sites while behaves like half-metal when Cr occupies the 4f 1 site. The higher magnetization, identified for the SrFe 11.5 Cr 0.5 O 19 compound, provides unique qualities in the applications of permanent magnets and/or related devices like spintronics and magnetic semiconductors.

Multi-susceptible single-phased hexaferrite with significant magnetic switching properties by selectively doping

“…configuration. This, specifically, clarifies an increase in the lattice parameter c and consequently, the variation of the unit cell volume [32].…”

Review—Goodenough-Kanamori-Anderson Rules-Based Design of Modern Radio-Frequency Magnetoceramics for 5G Advanced Functionality

“…4a-4f and 5a and 5b)), with space groups provided in the figure caption for all variants. [6][7][8][9][10] While garnets and spinels exist within cubic symmetry, this symmetry is broken in hexaferrite systems by the introduction of a late period II cation, typically barium or strontium, stabilizing the Patterson symmetry space group P63/mmc (#194) for M-, W-and Ztype phases, and R 3 M space group (#166) for the X-, Y-, and Utype phases. It is noteworthy that the hexaferrite structures depicted as Figs.…”