Gd impurity effect on the magnetic and electronic properties of hexagonal Sr ferrites: A case study by DFT

Abstract

The electronic and magnetic properties of strontium hexa-ferrite (SrFe12O19) are studied in pure state (SrFe12O19) and with dopant in the positions 2 and 3 of Fe atoms (SrGdFe11O19-I and SrGdFe11O19-II, respectively) by utilizing a variety of the density functional theory (DFT) approaches including the Perdew–Burke–Ernzerhof generalized gradient approximation (PBE-GGA) and GGA plus Hubbard U parameter (GGA+U). The pure SrFe12O19 is a hard magnetic half-metal with an integer magnetic moment of 64.00μ B, while using the GGA+U functional, the magnetic intensity increases, resulting in a magnetic semiconductor with a high integer magnetic moment of 120μ B. By doping the Gd atom in the two different positions of Fe, the magnetic moment is increased to 71.68μ B and 68.00μ B, respectively. The magnetic moment increases and remains an integer; hence, SrGdFe11O19-II can be very useful for application in magnetic memories. Moreover, applying the Hubbard parameter turns SrGdFe11O19-I and SrGdFe11O19-II to magnetic semiconductors with a magnetic moment of 124μ B, and the energy gap of both doped structures at spin down is found to be less than the pure case. By studying the electronic density diagram of the atoms of the crystal, it is found that the major effect to create magnetization in the pure case is due to the Fe atom. However, in the doped case, the elements Gd and Fe have the highest moment in the crystal respectively.

High‐Efficiency Spin–Orbit Torque Switching Using a Single Heavy‐Metal Alloy with Opposite Spin Hall Angles

“…[5,6,[16][17][18] magnetism, [33] and also which has the high magnetic moment of 8 μ B and it has a very capable for changing the properties of the material. [34] Furthermore, Gd posses very stable intermetallic phases such as PtGd, [35] which would have strong SHE that can be utilized as a spin current source to generate highly efficient SOT. According to the analogy of competing spin currents presented due to opposite θ SHA of Pt/W bilayer structure, [31] we have investigated competing spin currents in the Pt 1-x Gd x alloy.…”

Determination of the crystallite size and crystal structure of magnesium powder by x-ray diffraction

“…However, to our knowledge, the crystal structure of magnesium powder that has some impurities in it has not been available in the literature currently. On the other hand, the information of crystal structure is important since most properties of the material are governed by its crystal structure [10][11][12][13]. As discussed previously, the magnesium powder is used for many purposes such as hydrogen storage.…”