Magnetic frustration effect in polycrystalline Ga2−xFexO3

Wang, N.; Wen, Fusheng; Li, L.; Lü, Y. F.; Liu, S.C.; Liu, Z.Y.; Xu, Bin; He, Jin; Yu, Dongli; Tian, Yongjun

doi:10.1016/j.jmmm.2010.07.018

Cited by 23 publications

(9 citation statements)

References 19 publications

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“…GFO is also known to exhibit inner cationic site disorder [1,7,10,11] causing the total magnetic moment to be nonzero without changing the Fe concentration.…”

Section: Introductionmentioning

confidence: 99%

Electronic and magnetic properties ofGaFeO3:Ab initiocalculations for varying Fe/Ga ratio, inner cationic site disorder, and epitaxial strain

Atanelov

Mohn

2015

Phys. Rev. B

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In this study we present ab initio density-functional theory calculations on stoichiometric, cation-doped, and strained GaFeO 3. We start with a detailed discussion of the origin of the antiferromagnetic (AFM) superexchange in stoichiometric GaFeO 3 and give a molecular orbital description of the exchange mechanism derived from our calculations. In addition, we study the properties of the Fe-O-Fe bonds for different geometries to underline the angle and distance dependence of the AFM coupling as formulated in the Goodenough-Kanamori rules. We describe the AFM ground state of GaFeO 3 as a result of two intrinsic Fe-O-Fe chains that meander through the crystal along the c direction. The magnetocrystalline anisotropy energies are calculated for the stoichiometric phase with and without inner cationic site disorder, and the presence of a sublattice-dependent anisotropy is examined. Furthermore, we perform our studies of Ga 2−x Fe x O 3 for varying Fe concentrations x(0.0 x 2.0) where at a value of x = 0.0 and x = 2.0 it transforms into the isomorphic ε-Ga 2 O 3 and ε-Fe 2 O 3 phases, respectively. The effect of strain was also studied. Incorporating dopants and applying strain to the simulation cell changes the intrinsic geometry and thus the magnetic properties of gallium ferrite.

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“…GFO is also known to exhibit inner cationic site disorder [1,7,10,11] causing the total magnetic moment to be nonzero without changing the Fe concentration.…”

Section: Introductionmentioning

confidence: 99%

Electronic and magnetic properties ofGaFeO3:Ab initiocalculations for varying Fe/Ga ratio, inner cationic site disorder, and epitaxial strain

Atanelov

Mohn

2015

Phys. Rev. B

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“…Inner cationic side disorder describes site changes of Ga and Fe atoms which are well known for GFO and often seen in experiment [4,10,36,38].…”

Section: Stoichiometric Gfomentioning

confidence: 86%

The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study

Atanelov

Mohn

2016

Computational Materials Science

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a b s t r a c tIn this study we present ab initio DFT calculations performed on stoichiometric and anion doped GaFeO 3 substituting O by a C, N and S atom, respectively. Stoichiometric GaFeO 3 has an antiferromagnetic (AFM) ground state. The Fe atoms of the sublattices Fe1 and Fe2 couple antiferromagnetically via the O atoms through the superexchange mechanism. Replacing the superexchange mediating O atom with p-elements of a different valence electron configuration changes the underlying magnetic exchange mechanism and influence the ground state properties. This may be used for tuning properties interesting for technical applications. Four different doping configurations were examined revealing a cell site dependent influence on the magnetic properties. Carbon, for example, changes the AFM coupling present in the Fe1-O-Fe2 configuration into a ferrimagnetic exchange for the Fe1-C-Fe2 bond. Depending on the respective cell site C substitution introduces a ferrimagnetic or AFM ground state. Nitrogen alters the ground state magnetic moment as well and sulfur introduces large structural distortions affecting the band gap and the overall AFM coupling inside the doped GaFeO 3 simulation cell. We give a detailed discussion on the respective magnetic exchange mechanisms and electronic properties with regard to applications as photocatalysis and use the predictive power of ab initio DFT simulations that may trigger future experiments in the very promising field of tunable multifunctional devices.

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“…Ga 2−x Fe x O 3 (0.8 ≤ x ≤ 1.4) (GF x O) is a potential multiferroic candidate with large magnetization and potential room‐temperature polarization ordering. Its magnetic transition temperature can be tuned by manipulating its composition, that is, Ga‐to‐Fe ratio 14–16 . It crystallizes in the non‐centrosymmetric orthorhombic structure with space group Pc2 1 n , bearing one tetrahedral (Ga1) and three octahedral cation sites (Fe1, Fe2, and Ga2), as shown in Figure 1 17 .…”

Section: Introductionmentioning

confidence: 99%

“…Previous experimental studies have focused on altering the ratio of Ga to Fe to change the magnetic ordering temperature of GF x O (x = 0.8, 1, and 1.2), as well as creating cation site disorder, resulting in behaviors of spin glass (SG) 29,30 and frustration effects 16 . However, they were limited to observing the EB effect in GF x O single crystals.…”

Section: Introductionmentioning

confidence: 99%

Spin glass behavior and exchange bias effect in GaFeO₃‐type iron oxide

Lin

Wang

et al. 2021

J Am Ceram Soc

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GaFeO3‐type iron oxide is a promising room‐temperature multiferroic material due to its large magnetization and polarization. To expand the scope of its application, it is crucial to control the magnetic properties. Based on introducing the ferromagnetic (FM) Fe3O4 in the antiferromagnetic (AFM) GaFeO3 to build the FM‐AFM interface by changing the Ga/Fe ratio, Ga0.69Fe1.31O3 (GFO) was successfully grown by the floating zone method. The resulting sample was characterized by X‐ray diffraction (XRD), and its magnetic properties were measured using a superconducting quantum interference device (SQUID). The temperature‐dependent AC susceptibility measurement shows that the spin glass‐like behavior of GFO at temperatures close to 50 K is a manifestation of the geometrical frustration arising from cation site disorder. In addition, the magnetic property measurement shows that the magnetic transition temperature Tc is at 650 K, which is introduced by Fe3O4 and suppresses the ferromagnetic transition around 320 K of GFO. Interestingly, the observed exchange bias effect, which does not exist in the bulk GaFeO3‐type family, is attributed to the formation of an FM/AFM interface due to the existence of FM Fe3O4 in the GFO. This study provides a new perspective on the properties of the GaFeO3‐type family for potential applications in spintronic devices.

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Magnetic frustration effect in polycrystalline Ga2−xFexO3

Cited by 23 publications

References 19 publications

Electronic and magnetic properties ofGaFeO3:Ab initiocalculations for varying Fe/Ga ratio, inner cationic site disorder, and epitaxial strain

Electronic and magnetic properties ofGaFeO3:Ab initiocalculations for varying Fe/Ga ratio, inner cationic site disorder, and epitaxial strain

The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study

Spin glass behavior and exchange bias effect in GaFeO₃‐type iron oxide

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Magnetic frustration effect in polycrystalline Ga2−xFexO3

Cited by 23 publications

References 19 publications

Electronic and magnetic properties ofGaFeO3:Ab initiocalculations for varying Fe/Ga ratio, inner cationic site disorder, and epitaxial strain

Electronic and magnetic properties ofGaFeO3:Ab initiocalculations for varying Fe/Ga ratio, inner cationic site disorder, and epitaxial strain

The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study

Spin glass behavior and exchange bias effect in GaFeO3‐type iron oxide

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Spin glass behavior and exchange bias effect in GaFeO₃‐type iron oxide