References of "Kreisel, Jens 50031730"
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See detailTemperature-dependent photo-response in multiferroic BiFeO3 revealed by transmission measurements
Meggle, F.; Viret, M.; Kreisel, Jens UL et al

in JOURNAL OF APPLIED PHYSICS (2019), 125(11),

We studied the light-induced effects in BiFeO3 single crystals as a function of temperature by means of optical spectroscopy. Here, we report the observation of several light-induced absorption features ... [more ▼]

We studied the light-induced effects in BiFeO3 single crystals as a function of temperature by means of optical spectroscopy. Here, we report the observation of several light-induced absorption features which are discussed in terms of the photostriction effect and are interpreted in terms of excitons. The temperature dependence of their energy position suggests a possible coupling between the excitons and the lattice vibrations. Moreover, there are hints for anomalies in the temperature evolution of the excitonic features, which might be related to the temperature-induced magnetic phase transitions in BiFeO3. Our findings suggest a coupling between light-induced excitons and the lattice and spin degrees of freedom, which might be relevant for the observed ultrafast photostriction effect in multiferroic BiFeO3. Published under license by AIP Publishing. [less ▲]

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See detailCrossover in the pressure evolution of elementary distortions in RFeO3 perovskites and its impact on their phase transition
Vilarinho, Rui; Bouvier, Pierre; Guennou, Mael UL et al

in Physical Review. B (2019), 99

This work reports on the pressure dependence of the octahedral tilts and mean Fe-O bond lengths in RFeO3 (R = Nd, Sm, Eu, Gd, Tb, and Dy), determined through synchrotron x-ray diffraction and Raman ... [more ▼]

This work reports on the pressure dependence of the octahedral tilts and mean Fe-O bond lengths in RFeO3 (R = Nd, Sm, Eu, Gd, Tb, and Dy), determined through synchrotron x-ray diffraction and Raman scattering, and their role on the pressure-induced phase transition displayed by all of these compounds. For larger rare-earth cations (Nd-Sm), both anti- and in-phase octahedral tilting decrease as pressure increases, whereas the reverse behavior is observed for smaller ones (Gd-Dy). EuFeO3 stands at the borderline, with nearly pressure-independent tilt angles. For the compounds where the tilts increase with pressure, the FeO6 octahedra are compressed at lower rates than for those ones exhibiting opposite pressure tilt dependence. The crossover between the two opposite pressure behaviors is discussed in relation to the general rules proposed from different theoretical approaches. The similarity of the pressure-induced isostructural insulator-to-metal phase transition, observed in the whole series, points out that the tilts play a minor role in its driving mechanisms. A clear relationship between octahedral compressibility and critical pressure is ascertained. [less ▲]

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See detailSingle crystal growth of BaZrO3 from the melt at 2700 degrees C using optical floating zone technique and growth prospects from BaB2O4 flux at 1350 degrees C
Xin, Cong; Veber, Philippe; Guennou, Mael UL et al

in CRYSTENGCOMM (2019), 21(3), 502-512

We report the growth of BaZrO3 single crystals by the optical floating zone technique and the investigation on its flux growth using BaB2O4 as a solvent. 6 mm long colorless and transparent single ... [more ▼]

We report the growth of BaZrO3 single crystals by the optical floating zone technique and the investigation on its flux growth using BaB2O4 as a solvent. 6 mm long colorless and transparent single crystals were obtained with a mirror furnace without the need for post-treatment annealing. Its properties are determined and compared with those of two commercial crystals grown by the tri-arc Czochralski method. The chemical composition was investigated using glow discharge mass spectrometry (GDMS) and secondary ion mass spectrometry (SIMS), which indicate minor impurities of Sr, Hf, Ca and Ti, with maximal concentrations for Sr and Hf in the range of 0.3-0.5 at. The optical band gap determined by UV-visible spectroscopy is found to be similar to 4.8 eV and indicates the high quality of the BaZrO3 crystals grown by the optical floating zone technique. Raman spectroscopy at ambient conditions and at low temperatures down to 4.2 K reveals a relatively sharp second-order spectrum and does not reveal any structural phase transition. Prospective high-temperature solution growth using BaB2O4 self-flux was investigated and led to 150-200 mu m BaZrO3 crystals. This solvent opens the way to grow BaZrO3 at half its melting point by the flux method. [less ▲]

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See detailIncreasing bulk photovoltaic current by strain tuning
Nadupalli, Shankari; Kreisel, Jens UL; Granzow, Torsten

in SCIENCE ADVANCES (2019), 5(3),

Photovoltaic phenomena are widely exploited not only for primary energy generation but also in photocatalytic, photoelectrochemistry, or optoelectronic applications. In contrast to the interface-based ... [more ▼]

Photovoltaic phenomena are widely exploited not only for primary energy generation but also in photocatalytic, photoelectrochemistry, or optoelectronic applications. In contrast to the interface-based photovoltaic effect of semiconductors, the anomalous or bulk photovoltaic effect in ferroelectrics is not bound by the Shockley-Queisser limit and, thus, can potentially reach high efficiencies. Here, we observe in the example of an Fe-doped LiNbO3 bulk single crystal the existence of a purely intrinsic ``piezophotovoltaic'' effect that leads to a linear increase in photovoltaic current density. The increase reaches 75 under a low uniaxial compressive stress of 10 MPa, corresponding to a strain of only 0.005\%. The physical origin and symmetry properties of the effect are investigated, and its potential for strain-tuned efficiency increase in nonconventional photovoltaic materials is presented. [less ▲]

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See detailRaman signatures of ferroic domain walls captured by principal component analysis
Nataf, G. F.; Barrett, N.; Kreisel, Jens UL et al

in JOURNAL OF PHYSICS-CONDENSED MATTER (2018), 30(3),

Ferroic domain walls are currently investigated by several state-of-the art techniques in order to get a better understanding of their distinct functional properties. Here, principal component analysis ... [more ▼]

Ferroic domain walls are currently investigated by several state-of-the art techniques in order to get a better understanding of their distinct functional properties. Here, principal component analysis (PCA) of Raman maps is used to study ferroelectric domain walls (DWs) in LiNbO3 and ferroelastic DWs in NdGaO3. It is shown that PCA allows us to quickly and reliably identify small Raman peak variations at ferroelectric DWs and that the value of a peak shift can be deduced-accurately and without a priori-from a first order Taylor expansion of the spectra. The ability of PCA to separate the contribution of ferroelastic domains and DWs to Raman spectra is emphasized. More generally, our results provide a novel route for the statistical analysis of any property mapped across a DW. [less ▲]

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See detailRare-earth nickelates RNiO3: thin films and heterostructures
Catalano, S.; Gibert, M.; Fowlie, J. et al

in REPORTS ON PROGRESS IN PHYSICS (2018), 81(4),

This review stands in the larger framework of functional materials by focussing on heterostructures of rare-earth nickelates, described by the La, Pr, Nd Sm,., Lu. Nickelates are characterized by a rich ... [more ▼]

This review stands in the larger framework of functional materials by focussing on heterostructures of rare-earth nickelates, described by the La, Pr, Nd Sm,., Lu. Nickelates are characterized by a rich phase diagram of structural and physical properties and serve as a benchmark for the physics of phase transitions in correlated oxides where electron-lattice coupling plays a key role. Much of the recent interest in nickelates concerns heterostructures, that is single layers of thin film multilayers or superlattices, with the general objective of modulating their physical properties through strain control, confinement or interface effects. We will discuss the extensive studies on nickelate heterostructures as well as outline different approaches to tuning and controlling their physical properties and, finally, review application concepts for future devices. [less ▲]

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See detailFinite-strain Landau theory applied to the high-pressure phase transition of lead titanate
Troester, A.; Ehsan, S.; Belbase, K. et al

in PHYSICAL REVIEW B (2017), 95(6),

Standard Landau theory coupled to infinitesimal strain allows a concise description of the temperature-driven ferroelectric tetragonal-to-cubic phase transition in PbTiO3 at ambient pressure ... [more ▼]

Standard Landau theory coupled to infinitesimal strain allows a concise description of the temperature-driven ferroelectric tetragonal-to-cubic phase transition in PbTiO3 at ambient pressure. Unfortunately, it fails to cover its high-pressure counterpart at ambient temperature. For example, the experimental transition pressure is vastly underestimated and neither the change from first to second order with increasing pressure nor the unusual pressure dependence of the tetragonal unit cell parameters observed in experiment are reproduced. Here we demonstrate that a combination of density functional theory and a recently constructed finite-strain extension of Landau theory provides a natural mechanism for resolving these discrepancies between theory and experiment. Our approach also allows us to determine the full tetragonal-cubic phase boundary in the (P,T) plane including an estimate of the tricritical point. We show that a careful analysis of the thermal elastic baseline is an essential ingredient to the success of this theory. [less ▲]

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See detailControl of surface potential at polar domain walls in a nonpolar oxide
Nataf, G. F.; Guennou, Mael UL; Kreisel, Jens UL et al

in PHYSICAL REVIEW MATERIALS (2017), 1(7),

Ferroic domain walls could play an important role in microelectronics given their nanometric size and often distinct functional properties. Until now, devices and device concepts were mostly based on ... [more ▼]

Ferroic domain walls could play an important role in microelectronics given their nanometric size and often distinct functional properties. Until now, devices and device concepts were mostly based on mobile domain walls in ferromagnetic and ferroelectric materials. A less explored path is to make use of polar domain walls in nonpolar ferroelastic materials. Indeed, while the polar character of ferroelastic domain walls has been demonstrated, polarization control has been elusive. Here, we report evidence for the electrostatic signature of the domain-wall polarization in nonpolar calcium titanate (CaTiO3). Macroscopic mechanical resonances excited by an ac electric field are observed as a signature of a piezoelectric response caused by polar walls. On the microscopic scale, the polarization in domain walls modifies the local surface potential of the sample. Through imaging of surface potential variations, we show that the potential at the domain wall can be controlled by electron injection. This could enable devices based on nondestructive information readout of surface potential. [less ▲]

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See detailRules and mechanisms governing octahedral tilts in perovskites under pressure
Xiang, H. J.; Guennou, Mael UL; Iniguez, Jorge et al

in PHYSICAL REVIEW B (2017), 96(5),

The rotation of octahedra (octahedral tilting) is common in ABO(3) perovskites and relevant to many physical phenomena, ranging from electronic and magnetic properties, metal-insulator transitions to ... [more ▼]

The rotation of octahedra (octahedral tilting) is common in ABO(3) perovskites and relevant to many physical phenomena, ranging from electronic and magnetic properties, metal-insulator transitions to improper ferroelectricity. Hydrostatic pressure is an efficient way to tune and control octahedral tiltings. However, the pressure behavior of such tiltings can dramatically differ from one material to another, with the origins of such differences remaining controversial. In this paper we discover several new mechanisms and formulate a set of simple rules that allow us to understand how pressure affects oxygen octahedral tiltings via the use and analysis of first-principles results for a variety of compounds. Besides the known A-O interactions, we reveal that the interactions between specific B ions and oxygen ions contribute to the tilting instability. We explain the previously reported trend that the derivative of the oxygen octahedral tilting with respect to pressure (dR/dP) usually decreases with both the tolerance factor and the ionization state of the A ion by illustrating the key role of A-O interactions and their change under pressure. Furthermore, three new mechanisms/rules are discovered, namely that (i) the octahedral rotations in ABO(3) perovskites with empty low-lying d states on the B site are greatly enhanced by pressure, in order to lower the electronic kinetic energy; (ii) dR/dP is enhanced when the system possesses weak tilt instabilities, and (iii) for the most common phase exhibited by perovskites-the orthorhombic Pbnm state-the in-phase and antiphase octahedral rotations are not automatically both suppressed or both enhanced by the application of pressure because of a trilinear coupling between these two rotation types and an antipolar mode involving the A ions. We further predict that the polarization associated with the so-called hybrid improper ferroelectricity could be manipulated by hydrostatic pressure by indirectly controlling the amplitude of octahedral rotations. [less ▲]

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See detailConductivity and Local Structure of LaNiO3 Thin Films
Fowlie, Jennifer; Gibert, Marta; Tieri, Giulio et al

in ADVANCED MATERIALS (2017), 29(18),

A marked conductivity enhancement is reported in 6-11 unit cell LaNiO3 thin films. A maximal conductivity is also observed in ab initio calculations for films of the same thickness. In agreement with ... [more ▼]

A marked conductivity enhancement is reported in 6-11 unit cell LaNiO3 thin films. A maximal conductivity is also observed in ab initio calculations for films of the same thickness. In agreement with results from state of the art scanning transmission electron microscopy, the calculations also reveal a differentiated film structure comprising characteristic surface, interior, and heterointerface structures. Based on this observation, a three-element parallel conductor model is considered and leads to the conclusion that the conductivity enhancement for films of 6-11 unit cells, stems from the onset of intercompetition between the three local structures in the film depth. [less ▲]

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See detailEvolution of defect signatures at ferroelectric domain walls in Mg-doped LiNbO3
Nataf, Guillaume F.; Guennou, Mael UL; Haussmann, Alexander et al

in PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS (2016), 10(3), 222-226

The domain structure of uniaxial ferroelectric lithium niobate single crystals is investigated using Raman spectroscopy mapping. The influence of doping with magnesium and poling at room temperature is ... [more ▼]

The domain structure of uniaxial ferroelectric lithium niobate single crystals is investigated using Raman spectroscopy mapping. The influence of doping with magnesium and poling at room temperature is studied by analysing frequency shifts at domain walls and their variations with dopant concentration and annealing conditions. It is shown that defects are stabilized at domain walls and that changes in the defect structures with Mg concentration can be probed by the shift of Raman modes. We show that the signatures of polar defects in the bulk and at the domain walls differ. (C) 2016 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim [less ▲]

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See detailUltrafast acousto-optic mode conversion in optically birefringent ferroelectrics
Lejman, Mariusz; Vaudel, Gwenaelle; Infante, Ingrid C. et al

in NATURE COMMUNICATIONS (2016), 7

The ability to generate efficient giga-terahertz coherent acoustic phonons with femtosecond laser makes acousto-optics a promising candidate for ultrafast light processing, which faces electronic device ... [more ▼]

The ability to generate efficient giga-terahertz coherent acoustic phonons with femtosecond laser makes acousto-optics a promising candidate for ultrafast light processing, which faces electronic device limits intrinsic to complementary metal oxide semiconductor technology. Modern acousto-optic devices, including optical mode conversion process between ordinary and extraordinary light waves (and vice versa), remain limited to the megahertz range. Here, using coherent acoustic waves generated at tens of gigahertz frequency by a femtosecond laser pulse we reveal the mode conversion process and show its efficiency in ferroelectric materials such as BiFeO3 and LiNbO3. Further to the experimental evidence, we provide a complete theoretical support to this all-optical ultrafast mechanism mediated by acousto-optic interaction. By allowing the manipulation of light polarization with gigahertz coherent acoustic phonons, our results provide a novel route for the development of next-generation photonic-based devices and highlight new capabilities in using ferroelectrics in modern photonics. [less ▲]

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See detailDirect observation of polar tweed in LaAlO3
Salje, Ekhard K. H.; Alexe, Marin; Kustov, Sergey et al

in SCIENTIFIC REPORTS (2016), 6

Polar tweed was discovered in mechanically stressed LaAlO3. Local patches of strained material (diameter ca. 5 mu m) form interwoven patterns seen in birefringence images, Piezo-Force Microscopy (PFM) and ... [more ▼]

Polar tweed was discovered in mechanically stressed LaAlO3. Local patches of strained material (diameter ca. 5 mu m) form interwoven patterns seen in birefringence images, Piezo-Force Microscopy (PFM) and Resonant Piezoelectric Spectroscopy (RPS). PFM and RPS observations prove unequivocally that electrical polarity exists inside the tweed patterns of LaAlO3. The local piezoelectric effect varies greatly within the tweed patterns and reaches magnitudes similar to quartz. The patterns were mapped by the shift of the E-g soft-mode frequency by Raman spectroscopy. [less ▲]

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See detailPhotovoltaics with Ferroelectrics: Current Status and Beyond
Paillard, Charles; Bai, Xiaofei; Infante, Ingrid C. et al

in ADVANCED MATERIALS (2016), 28(26), 5153-5168

Ferroelectrics carry a switchable spontaneous electric polarization. This polarization is usually coupled to strain, making ferroelectrics good piezoelectrics. When coupled to magnetism, they become so ... [more ▼]

Ferroelectrics carry a switchable spontaneous electric polarization. This polarization is usually coupled to strain, making ferroelectrics good piezoelectrics. When coupled to magnetism, they become so-called multiferroic systems, a fi eld that has been widely investigated since 2003. While ferroelectrics are birefringent and non-linear optically transparent materials, the coupling of polarization with optical properties has received, since 2009, renewed attention, triggered notably by low-bandgap ferroelectrics suitable for sunlight spectrum absorption and original photovoltaic effects. Consequently, power conversion effi ciencies up to 8.1 were recently achieved and values of 19.5 were predicted, making photoferroelectrics promising photovoltaic alternatives. This article aims at providing an up-to-date review on this emerging and rapidly progressing fi eld by highlighting several important issues and parameters, such as the role of domain walls, ways to tune the bandgap, consequences arising from the polarization switchability, and the role of defects and contact electrodes, as well as the downscaling effects. Beyond photovoltaicity other polarization-related processes are also described, like light-induced deformation (photostriction) or light-assisted chemical reaction (photostriction). It is hoped that this overview will encourage further avenues to be explored and challenged and, as a byproduct, will inspire other research communities in material science, e.g., so-called hybrid halide perovskites. [less ▲]

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See detailMultiple strain-induced phase transitions in LaNiO3 thin films
Weber, M. C.; Guennou, Mael UL; Dix, N. et al

in PHYSICAL REVIEW B (2016), 94(1),

Strain effects on epitaxial thin films of LaNiO3 grown on different single crystalline substrates are studied by Raman scattering and first-principles simulation. New Raman modes, not present in bulk or ... [more ▼]

Strain effects on epitaxial thin films of LaNiO3 grown on different single crystalline substrates are studied by Raman scattering and first-principles simulation. New Raman modes, not present in bulk or fully relaxed films, appear under both compressive and tensile strains indicating symmetry reductions. Interestingly, the Raman spectra and the underlying crystal symmetry for tensile and compressively strained films are different. Extensive mapping of LaNiO3 phase stability is addressed by simulations, showing that a variety of crystalline phases are indeed stabilized under strain. The calculated Raman frequencies reproduce the principal features of the experimental spectra, supporting the validity of the multiple strain-driven structural transitions predicted by the simulations. [less ▲]

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See detailOptical spectroscopy study on the photo-response in multiferroic BiFeO3
Burkert, F.; Kreisel, Jens UL; Kuntscher, C. A.

in APPLIED PHYSICS LETTERS (2016), 109(18),

We investigate the underlying mechanism of the photostriction effect in single-crystalline BiFeO3 by transmission measurements in the infrared and visible frequency range under continuous illumination ... [more ▼]

We investigate the underlying mechanism of the photostriction effect in single-crystalline BiFeO3 by transmission measurements in the infrared and visible frequency range under continuous illumination with a green 532 nm). The small photo-induced changes in the transmission spectrum reveal three well-defined absorption features at 1.22 eV, 1.66 eV, and 2.14 eV, which we assign to charge-transfer excitons and in-gap defect states probably related to oxygen vacancies. The intensity of the three absorption features follows a linear dependence on the illumination intensity for an irradiance above 90 W/m(2). Published by AIP Publishing. [less ▲]

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See detailRaman spectroscopy of rare-earth orthoferrites RFeO3 (R=La, Sm, Eu, Gd Tb, Dy)
Weber, Mads Christof; Guennou, Mael UL; Zhao, Hong Jian et al

in PHYSICAL REVIEW B (2016), 94(21),

We report a Raman scattering study of six rare-earth orthoferrites La, Sm, Eu, Gd, Tb, Dy. The use of extensive polarized Raman scattering of SmFeO3 and first-principles calculations enable the assignment ... [more ▼]

We report a Raman scattering study of six rare-earth orthoferrites La, Sm, Eu, Gd, Tb, Dy. The use of extensive polarized Raman scattering of SmFeO3 and first-principles calculations enable the assignment of the observed phonon modes to vibrational symmetries and atomic displacements. The assignment of the spectra and their comparison throughout the whole series allow correlating the phonon modes with the orthorhombic structural distortions of RFeO3 perovskites. In particular the positions of two specific A(g) modes scale linearly with the two FeO6 octahedra tilt angles, allowing the distortion to be tracked throughout the series. At variance with literature, we find that the two octahedra tilt angles scale differently with the vibration frequencies of their respective A(g) modes. This behavior, as well as the general relations between the tilt angles, the frequencies of the associated modes, and the ionic radii are rationalized in a simple Landau model. The reported Raman spectra and associated phonon-mode assignment provide reference data for structural investigations of the whole series of orthoferrites. [less ▲]

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See detailBismuth-based perovskites as multiferroics
Guennou, Mael; Viret, Michel; Kreisel, Jens UL

in Comptes Rendus Physique (2015), 16(2), 182-192

This review devoted to multiferroic properties of bismuth-based perovskites is divided into two parts. The first one focuses on BiFeO3and summarizes the recent progress made in the studies of its ... [more ▼]

This review devoted to multiferroic properties of bismuth-based perovskites is divided into two parts. The first one focuses on BiFeO3and summarizes the recent progress made in the studies of its pressure–temperature phase diagram and magnetoelectric coupling phenomena. The second part discusses in a more general way the issue of polar—and multiferroic—phases in BiBO3perovskites and the competition between ferroelectricity and other structural instabilities, from an inventory of recently synthesized compounds. [less ▲]

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See detailMaterials science in Luxembourg
Kreisel, Jens UL; Wirtz, Ludger UL; Schiltz, Marc

in Nature Materials (2014), 13

With its strategic location and firm commitment to investing in research, Luxembourg has ambitious plans to become a significant player in the international research arena.

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See detailJahn-Teller, Polarity, and Insulator-to-Metal Transition in BiMnO3 at High Pressure
Guennou, Mael; Bouvier, Pierre; Toulemonde, Pierre et al

in Physical Review Letters (2014), 112

The interaction of coexisting structural instabilities in multiferroic materials gives rise to intriguing coupling phenomena and extraordinarily rich phase diagrams, both in bulk materials and strained ... [more ▼]

The interaction of coexisting structural instabilities in multiferroic materials gives rise to intriguing coupling phenomena and extraordinarily rich phase diagrams, both in bulk materials and strained thin films. Here we investigate the multiferroic BiMnO3 with its peculiar 6s2 electrons and four interacting mechanisms: electric polarity, octahedra tilts, magnetism, and cooperative Jahn-Teller distortion. We have probed structural transitions under high pressure by synchrotron x-ray diffraction and Raman spectroscopy up to 60 GPa. We show that BiMnO3 displays under pressure a rich sequence of five phases with a great variety of structures and properties, including a metallic phase above 53 GPa and, between 37 and 53 GPa, a strongly elongated monoclinic phase that allows ferroelectricity, which contradicts the traditional expectation that ferroelectricity vanishes under pressure. Between 7 and 37 GPa, the Pnma structure remains remarkably stable but shows a reduction of the Jahn-Teller distortion in a way that differs from the behavior observed in the archetypal orthorhombic Jahn-Teller distorted perovskite LaMnO3. [less ▲]

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