Epitaxial strain effects in the spinel ferrites<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>CoFe</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>NiFe</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext>

Fritsch, Daniel; Ederer, Claude

doi:10.1103/physrevb.82.104117

Cited by 138 publications

(96 citation statements)

References 51 publications

(36 reference statements)

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“…This is comparable with the conventional ferroelectrics and therefore implies the presence of spontaneous polarization in the bulk NFO. However, the ferroelectricity of bulk NFO has neither been calculated nor measured yet, though the intensive studies of electronic [32][33][34], magnetic [35], and epitaxial strain and magnetoelastic properties [36][37][38] Fe 3+ and Ni 2+ over B-sites in the F d3m unit cell with the periodic boundary condition rather than in infinite bulk crystal, it might be possible to generate different space groups whose symmetries are lowered from F d3m. It is only recent year that, through the Raman spectra measurements, both NFO single crystals [39] and thin films [40] exhibit short range B-site ordering with tetragonal P 4 1 22 (No.…”

mentioning

confidence: 99%

“…This is comparable with the conventional ferroelectrics and therefore implies the presence of spontaneous polarization in the bulk NFO. However, the ferroelectricity of bulk NFO has neither been calculated nor measured yet, though the intensive studies of electronic [32][33][34], magnetic [35], and epitaxial strain and magnetoelastic properties [36][37][38] have been conducted.Which is the most stable structure?-It is well accepted that NFO crystallizes in the completely inverse spinel structure with a face-centered cubic space group F d3m (No. 227), where half of the Fe 3+ cations occupy the tetrahedral A-sites (8a), the rest of Fe 3+ and Ni 2+ cations are equally distributed over the octahedral B-sites (16d), and the sites of oxygen anions are distinguished into O 1 and O 2 .…”

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confidence: 99%

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First-principles study of ferroelectricity induced by p–d hybridization in ferrimagnetic NiFe 2 O 4

Jong¹,

Yu²,

Park³

et al. 2016

Physics Letters A

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We investigate the ferrimagnetism and ferroelectricity of bulk NiFe2O4 with tetragonal P 4122 symmetry by means of density functional calculations using generalized gradient approximation + Hubbard U approach. Special attention is paid to finding the most energetically favorable configuration on magnetic ordering and further calculating the reliable spontaneous electric polarization. With the fully optimized crystalline structure of the most stable configuration, the spontaneous polarization is obtained to be 23 µC/cm 2 along the z direction, which originates from the hybridization between the 3d states of the Fe 3+ cation and the 2p states of oxygen induced by Jahn-Teller effect.PACS numbers: 41.20. Gz, 75.85.+t,Magnetic ferroelectrics that possess ferroelectricity together with some form of magnetic order like ferromagnetic, antiferromagnetic, or ferrimagnetic property in the same crystalline phase have attracted much interest due to their fundamental physics and a great promise for applications in future information technology [2][3][4][5][6][7][8]. In particular, improper multiferroics in which a ferroelectric polarization is induced by electronic correlation effects such as non-centrosymmetric spin, charge, and orbital ordering, is currently under intensive study [9][10][11][12]. This is related to the suggestion that a magneto-electric (ME) coupling in improper multiferroics is expected to be stronger than in proper case, because both dipolar and magnetic orderings share the same physical origin and occur at the same temperature [9].In the early days of searching improper multiferroics, spin ordering was accepted to be a main driving force for the manifestation of ferroelectric polarization; examples include rare earth manganites RMnO 3 [13][14][15][16] [10] are typical compounds belonged to this materials class. These materials have weak ferromagnetism and thus a significant ME coupling is expected. Despite the great progress in the field of improper multiferroics, the effort to find new mechanism and design new materials is being continued.In this letter, we present that spinel-type nickel ferrite NiFe 2 O 4 (NFO) is a promising candidate for improper multiferroics with finite magnetization and considerably large polarization, based on the first-principles density functional theory (DFT) calculations. In fact, spinels exhibit several unusual features including magnetoelectricity and multiferroicity [9]. From the experiment, it was established that the bulk NFO shows soft ferrimagnetic ordering below relatively high transition temperature of 850 K with a magnetization of 2 µ B per formula unit (f.u.) [30]. In the recent experiment [31], moreover, high dielectric permitivity was observed in NFO nanoparticles to be ranged from 60 to 600 at different frequencies and temperatures. This is comparable with the conventional ferroelectrics and therefore implies the presence of spontaneous polarization in the bulk NFO. However, the ferroelectricity of bulk NFO has neither been calculated nor measured yet, though ...

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confidence: 99%

“…This is comparable with the conventional ferroelectrics and therefore implies the presence of spontaneous polarization in the bulk NFO. However, the ferroelectricity of bulk NFO has neither been calculated nor measured yet, though the intensive studies of electronic [32][33][34], magnetic [35], and epitaxial strain and magnetoelastic properties [36][37][38] have been conducted.Which is the most stable structure?-It is well accepted that NFO crystallizes in the completely inverse spinel structure with a face-centered cubic space group F d3m (No. 227), where half of the Fe 3+ cations occupy the tetrahedral A-sites (8a), the rest of Fe 3+ and Ni 2+ cations are equally distributed over the octahedral B-sites (16d), and the sites of oxygen anions are distinguished into O 1 and O 2 .…”

mentioning

confidence: 99%

mentioning

confidence: 99%

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First-principles study of ferroelectricity induced by p–d hybridization in ferrimagnetic NiFe 2 O 4

Jong¹,

Yu²,

Park³

et al. 2016

Physics Letters A

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“…BTO is a typical perovskite ferroelectric material [20], while CFO possesses good magnetostrictive properties among oxides [21]. On the (001)-oriented STO substrates, the spontaneous phase separation occurred and resulted in nanoscale columnar heteroepitaxy, as shown in Figs 1a and b.…”

Section: Strain Effectsmentioning

confidence: 86%

Magnetoelectric coupling across the interface of multiferroic nanocomposites

Yao

Lin

et al. 2015

Sci. China Mater.

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In recent decades, magnetoelectric effect in multiferroic materials has attracted extensive attention owing to the upcoming demands for new-generation multi-functional magnetoelectronic devices, such as transducer, sensor and so on. This gives people a strong push to explore the multiferroic materials with a reduced dimension and effective coupling between electric and magnetic orderings, especially at room temperature. Due to the weak magnetoelectric coupling strength in sing-phase multiferroic materials, scientists start to design nanocomposites and artificial nanostructures with strong coupling among order parameters (lattice, charge, spin and orbital). In this review, we will introduce recent major progresses of magnetoelectric coupling in multiferroic nanocomposites across their interfaces from the following four aspects: strain effect, charge transfer, magnetic exchange interaction and orbital hybridization, based on their coupling mechanisms. Through a full understanding of the above coupling among these orderings, it is possible to achieve the nanoscale modulation of magnetization (ferroelectric polarization) by external electric (magnetic) field. Apart from the magnetoelectric coupling, those artificially functional nanocomposites provide us a platform to explore and study the emerging physical phenomena so that we can design self-assembled nanostructures to tailor novel functionalities in future applications.

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“…Spinel ferrites have been investigated widely [1][2][3][4] due to their various applications in magnetic memory devices, transformers, magnetic refrigeration etc. (A) [B] 2 O 4 spinel ferrites have a unit cell containing eight formula units, in which the 32 larger oxygen anions form a close-packed face-centered-cubic structure with the 24 smaller metal cations occupying the two types of interstitial positions: the tetrahedral (8a) or (A) sites, and the octahedral (16d) or [B] sites.…”

Section: Introductionmentioning

confidence: 99%

Magnetic moment directions and distributions of cations in Cr (Co) substituted spinel ferrites Ni0.7Fe2.3O4

Lang

et al. 2015

AIP Advances

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Powder samples of the spinel ferrites MxNi0.7−xFe2.3O4 (M = Cr, Co and 0.0 ≤ x ≤ 0.3) and CrxNi0.7Fe2.3−xO4 (0.0 ≤ x ≤ 0.3) were synthesized using the chemical co-precipitation method. The XRD spectra confirmed that the samples had a single-phase cubic spinel structure. Magnetic measurements showed that the magnetic moments (μexp) per formula both at 10 K and 300 K increased with Co substitution, while the values of μexp decreased with Cr substitution. Applying the assumption that the magnetic moments of Cr2+ and Cr3+ lie antiparallel to those of the divalent and trivalent Fe, Co, and Ni cations in the same sublattice of spinel ferrites, these interesting behaviors could be easily interpreted. The cation distributions of the three series of samples were estimated successfully by fitting the dependences of μexp, measured at 10 K, on the doping level x, using a quantum-mechanical potential barrier model earlier proposed by our group. The results obtained for the Cr cation distributions at the (A) and [B] sites are very close to those obtained elsewhere using neutron diffraction.

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Epitaxial strain effects in the spinel ferritesCoFe2O4andNiFe2O

Cited by 138 publications

References 51 publications

First-principles study of ferroelectricity induced by p–d hybridization in ferrimagnetic NiFe 2 O 4

First-principles study of ferroelectricity induced by p–d hybridization in ferrimagnetic NiFe 2 O 4

Magnetoelectric coupling across the interface of multiferroic nanocomposites

Magnetic moment directions and distributions of cations in Cr (Co) substituted spinel ferrites Ni0.7Fe2.3O4

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