Multiferroic behavior of Aurivillius Bi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>4</mml:mn></mml:msub></mml:math>Mn<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>12</mml:mn></mml:msub></mml:math>from first principles

Tinte, Silvia; Stachiotti, M. G.

doi:10.1103/physrevb.85.224112

Cited by 7 publications

(3 citation statements)

References 32 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The possibility to substitute Mn 4+ for Ti 4+ in the 3-layer structure has been studied computationally by Tinte and Stachiotti. 61 However, they found only incipient ferroelectricity in the fully substituted system Bi 4 Mn 3 O 12 . Furthermore, the Mn 4+ cation has a rather small ionic radius, which falls outside the range that is considered suitable for incorporation on the B-site of the Aurivillius structure.…”

Section: Discussionmentioning

confidence: 99%

Potentially multiferroic Aurivillius phaseBi5FeTi3O15: Cation site preference, electric polarization, and magnetic coupling from first principles

2014

View full text Add to dashboard Cite

We study the structural, ferroelectric, and magnetic properties of the potentially multiferroic Aurivillius phase material Bi5FeTi3O15 using first principles electronic structure calculations. Calculations are performed both with PBE and PBEsol exchange correlation functionals. We conclude that PBE systematically overestimates the lattice constants and the magnitude of the ferroelectric distortion, whereas PBEsol leads to good agreement with available experimental data. We then assess a potential site preference of the Fe 3+ cation by comparing 10 different distributions of the perovskite B-sites. We find a slight preference for the "inner" site, consistent with recent experimental observations. We obtain a large value of ∼55 µC/cm 2 for the spontaneous electric polarization, which is rather independent of the specific Fe distribution. Finally, we calculate the strength of the magnetic coupling constants and find strong antiferromagnetic coupling between Fe 3+ cations in nearest neighbor positions, whereas the coupling between further neighbors is rather weak. This poses the question whether magnetic long range order can occur in this system in spite of the low concentration of magnetic ions. arXiv:1407.3973v2 [cond-mat.mtrl-sci]

show abstract

Section: Discussionmentioning

confidence: 99%

Potentially multiferroic Aurivillius phaseBi5FeTi3O15: Cation site preference, electric polarization, and magnetic coupling from first principles

2014

View full text Add to dashboard Cite

show abstract

“…The case of non-d 0 cations like Fe 3+ , Ru 4+ , Cr 3+ , Ir 4+ or Mn 4+ at the B site has also been considered in the search for magnetic and multiferroic Aurivillius phases. [112][113][114][115][116] At the structural and functional levels, most Aurivillius phases share common characteristics. At high temperatures, they crystallize in the tetragonal I4/mmm space group (except for Bi 2 WO 6 , see later), which can be seen as the prototypical high-symmetry reference structure for the whole family.…”

Section: Aurivillius Phasesmentioning

confidence: 99%

Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments

et al. 2015

View full text Add to dashboard Cite

ABO 3 perovskites have fascinated solid-state chemists and physicists for decades because they display a seemingly inexhaustible variety of chemical and physical properties. However, despite the diversity of properties found among perovskites, very few of these materials are ferroelectric, or even polar, in bulk. In this Perspective, we highlight recent theoretical and experimental studies that have shown how a combination of non-polar structural distortions, commonly tilts or rotations of the BO 6 octahedra, can give rise to polar structures or ferroelectricity in several families of layered perovskites. We discuss the crystal chemical origin of the polarization in each of these families -which emerges through a so-called 'trilinear coupling' or 'hybrid improper' mechanism -and emphasize areas in which further theoretical and experimental investigation is needed. We also consider how this mechanism may provide a generic route for designing not only new ferroelectrics, but also materials with various other multifunctionalities, such as magnetoelectrics and electric field-controllable metal-insulator transitions.

show abstract

“…The Aurivillius phase materials are a family of multilayer perovskites, general formula: Bi2O2(Am-1BmO3m+1), where 'm' is the number of perovskite-type blocks interleaved between [Bi2O2] 2+ fluorite layers (4,5). The structure (6) provides a versatile framework for the design of multiferroic materials (7). They are well-established ferroelectrics (8) and they can accommodate cations such as Fe, Mn, and Cr at their perovskite B-sites, which can contribute to magnetic super-exchange interactions (9)(10)(11)(12)(13).…”

mentioning

confidence: 99%

Charge compensation and structural adaptation to accommodate increased magnetic cation content in multiferroic Aurivillius phases

Halpin,

Schmidt,

Whatmore

et al. 2024

Preprint

View full text Add to dashboard Cite

The five-layered (m = 5) Bi6Ti2.99Fe1.46Mn0.55O18 Aurivillius material is a rare example of a single-phase room temperature ferroelectric-ferromagnetic multiferroic that could ideally be suited to future energy-efficient memory devices. This study examines the effect of B-site substitution with the aim of increasing the proportion of magnetic ions within the structure and consequently increasing the saturation magnetisation. Four series of Aurivillius phase films with a target composition of Bi6TixFeyMnzO18 (B6TFMO; x = 2.3 to 3.2, y = 1.2 to 2.0, z = 0.3 to 0.9) were fabricated by chemical solution deposition. Substitution of Ti4+ by Fe3+ and Mn3+ necessitates charge compensation mechanisms and requires accommodation of differing ionic radii. While valence changes of Mn3+ to Mn4+ can act to compensate charge, XRD and TEM analysis is used here to demonstrate that above a threshold of 8 % nominal Mn4+, the m = 5 structure can no longer accommodate the smaller Mn4+ ion and it rearranges into a mixed-phase material based on m = 5 and six-layered (m = 6) inter-growths. Increasing the number of perovskite layers by forming the m = 6 structure facilitates the accommodation of additional magnetic cations at a lower average manganese oxidation state (+3.3). This work provides valuable insight into the design and development of versatile multiferroic phases by describing how the B-site magnetic cation content can be increased to 54 % in m = 6 structures, compared to a solubility limit of 46 % in m = 5 structures.

show abstract

Multiferroic behavior of Aurivillius Bi4Mn3O12from first principles

Cited by 7 publications

References 32 publications

Potentially multiferroic Aurivillius phaseBi5FeTi3O15: Cation site preference, electric polarization, and magnetic coupling from first principles

Potentially multiferroic Aurivillius phaseBi5FeTi3O15: Cation site preference, electric polarization, and magnetic coupling from first principles

Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments

Charge compensation and structural adaptation to accommodate increased magnetic cation content in multiferroic Aurivillius phases

Contact Info

Product

Resources

About