Unlike proper ferroelectricity, the improper ferroelectricity in multiferroic rare-earth manganites h-ReMnO3 (Re=La-Lu,Y,Sc) thin films features a unique geometric distortion and stays immune to the depolarizing field in the ultra-thin limit. Here, we have managed to tune and boost ferroelectric geometric distortion of h-LuMnO3 thin films by doping Ca. Compressively strained h-Lu1-xCaxMnO3(x=0.1,0.2,0.3,0.4,0.5)epitaxial thin films were stabilized over sapphire substrates by a h-ScFeO3 buffer layer. When the doping concentration x>=0.2, the common substrate-induced interface clamping effect that suppresses improper ferroelectricity of h-ReMnO3 can be eliminated. This work establishes a potential quasi-2D ferroelectric system and suggests a general strain engineering method to enhance improper ferroelectricity of hexagonal manganites.
About ten years after ferroelectricity was first reported in doped HfO2 polycrystalline films, there is tremendous interest in this material and ferroelectric oxides are once again in the spotlight of the memories industry. Great efforts are being made to understand and control ferroelectric properties. Epitaxial films, which have fewer defects and a more controlled microstructure than polycrystalline films, can be very useful for this purpose. Epitaxial films of ferroelectric HfO2 have been much less investigated, but after the first report in 2015 significant progress has been achieved. This…
Density functional calculations are performed to study the effect of epitaxial strain on PbZrO3. We find a remarkably small energy difference between the epitaxially strained polar R3c and nonpolar Pbam structures over the full range of experimentally accessible epitaxial strains -3% < η< 4%. While ferroelectricity is favored for all compressive strains, for tensile strains the small energy difference between the nonpolar ground state and the alternative polar phase yields a robust antiferroelectric ground state. The coexistence of ferroelectricity and antiferroelectricity observed in thin fil…
Ferroelectric hafnia is being explored for next generation electronics due to its robust ferroelectricity in nanoscale samples and its compatibility with silicon. However, its ferroelectricity is not understood. Other ferroelectrics usually lose their ferroelectricity for nanoscopic samples and thin films, and the hafnia ground state is non-polar baddeleyite. Here we study hafnia with density functional theory (DFT) under epitaxial strain, and find that strain not only stabilizes the ferroelectric phases, but also leads to unstable modes and a downhill path in energy from the high temperature …
Interest in epitaxial ferroelectric nanoislands was growing rapidly in recent years driven by their potential for devices, especially ultradense memories. Recent advances in the "bottom- up" (self-assembly) nanometer scale techniques have opened up the opportunities of fabricating high-quality epitaxial ferroelectric nanoislands with extremely small thickness and lateral size on the order of 1 nm and 20 nm, respectively. On the other hand, recent emergence of powerful probes, such as piezoresponse force microscopy (PFM), has enabled imaging of a local domain structure with sub-10 nm resolution…
We demonstrate room temperature ferroelectricity in the epitaxial thin films of magnetoelectric GaFeO3. Piezo-force measurements show a 180o phase shift of piezoresponse upon switching the electric field indicating nanoscale ferroelectricity in epitaxial thin films of gallium ferrite. Further, temperature dependent impedance analysis with and without the presence of an external magnetic field clearly reveals a pronounced magneto-dielectric effect across the magnetic transition temperature. In addition, our first principles calculations show that Fe ions are not only responsible for ferrimagnet…
We investigated the ferroelectric domain wall propagation in epitaxial Pb(Zr,Ti)O3 thin films over a wide temperature range (3 - 300 K). We measured the domain wall velocity under various electric fields and found that the velocity data is strongly nonlinear with electric fields, especially at low temperature. We found that, as one of surface growth problems, our domain wall velocity data from ferroelectric epitaxial film could be classified into the creep, depinning, and flow regimes due to competition between disorder and elasticity. The measured values of velocity and dynamical exponents in…
The first epitaxial ferroelectric wurtzite film with clear polarization-electric field hysteresis behavior is presented. The coercive field of this epitaxial Al0.7Sc0.3N film on W/c-sapphire substrate is 0.4 +- 0.3 MV cm-1 (8 %) smaller than that of a conventional fiber textured film on a Pt/TiOx/SiO2/Si substrate, attributed to the 0.01 +- 0.007 Å smaller c-axis lattice parameter in the epitaxial film. The strain and decrease of the coercive field most likely originate from epitaxial strain rather than the mismatch in thermal coefficient of expansion. These results provide an insight for furt…
Epitaxial strain can be used to modify the properties of ferroelectric thin films. From the experimental viewpoint, the challenge is to fine-tune the magnitude of the strain. We illustrate how, by using a suitable combination of composition and substrate, the magnitude of the epitaxial strain can be controlled in a continuous manner. The phase diagram of PbxSr1-xTiO3 films grown epitaxially on (110)-DyScO3 is calculated using a Devonshire-Landau approach. A boundary between in-plane and out-of-plane oriented ferroelectric phases is predicted to take place at $x \approx$ 0.8. A series of PbxSr1…
The structure and polarization of the as-yet hypothetical Ruddlesden-Popper compound Pb$_2$TiO$_4$ are investigated within density-functional theory. Zone enter phonons of the high-symmetry K$_2$NiF$_4$-type reference structure, space group $I4/mmm$, were calculated. At the theoretical ground-state lattice constants, there is one unstable infrared-active phonon. This phonon freezes in to give the $I2mm$ ferroelectric state. As a function of epitaxial strain, two additional ferroelectric phases are found, with space groups $I4mm$ and $F2mm$ at compressive and tensile strains, respectively.
In this review, we propose a summary of the most recent advances in the first-principles study of ferroelectric oxide epitaxial thin films and multilayers. We discuss in detail the key roles of mechanical and electrical boundary conditions, providing to the reader the basic background for a simple and intuitive understanding of the evolution of the ferroelectric properties in many nanostructures. Going further we also highlight promising new avenues and future challenges within this exciting field or researches.
The metastable orthorhombic phase of hafnia is generally obtained in polycrystalline films, whereas in epitaxial films, its formation has been much less investigated. We have grown Hf0.5Zr0.5O2 films by pulsed laser deposition, and the growth window (temperature and oxygen pressure during deposition and film thickness) for epitaxial stabilization of the ferroelectric phase is mapped. The remnant ferroelectric polarization, up to around 24 uC/cm2, depends on the amount of orthorhombic phase and interplanar spacing and increases with temperature and pressure for a fixed film thickness. The leaka…
X-ray analysis of ferroelectric thin layers of Ba1/2Sr1/2TiO3 with different thickness reveals the presence of internal strain gradients across the film thickness and allows us to propose a functional form for the internal strain profile. We use this to calculate the direct influence of strain gradient, through flexoelectric coupling, on the degradation of the ferroelectric properties of thin films with decreasing thickness, in excellent agreement with the observed behaviour. This work highlights the link between strain relaxation and strain gradients in epitaxial films, and shows the pressing…
A combined experimental and computational investigation of coupling between polarization and epitaxial strain in highly polar ferroelectric PbZr_0.2Ti_0.8O_3 (PZT) thin films is reported. A comparison of the properties of relaxed (tetragonality c/a = 1.05) and highly-strained (c/a = 1.09) epitaxial films shows that polarization, while being amongst the highest reported for PZT or PbTiO_3 in either film or bulk forms (P_r = 82 microC/cm^2), is almost independent of the epitaxial strain. We attribute this behavior to a suppressed sensitivity of the A-site cations to epitaxial strain in these Pb-…
Mechanical restoring forces acting on ferroelastic domain walls displaced from the equilibrium positions in epitaxial films are calculated for various modes of their cooperative translational oscillations. For vibrations of the domain-wall superlattice with the wave vectors corresponding to the center and boundaries of the first Brillouin zone, the soft modes are singled out that are distinguished by a minimum magnitude of the restoring force. It is shown that, in polydomain ferroelectric thin films, the soft modes of wall vibrations may create enormously large contribution to the film permitt…
Using the modified Landau-Ginsburg-Devonshire thermodynamic theory, it is found that the coupling between stress gradient and polarization, or flexoelectricity, has significant effect on ferroelectric properties of epitaxial thin films, such as polarization, free energy profile and hysteresis loop. However, this effect can be completely eliminated by applying an optimized external, uniform electric field. The role of such uniform electric field is shown to be the same as that of an ideal gradient electric field which can suppress the flexoelectricty effect completely based on the present theor…
An analysis of the dynamic dielectric and electro-optic relaxation response of thin film ferroelectrics is presented. The analysis is based upon the relaxation of ferroelectric domains with a continuous distribution of sizes given by percolation theory. The resulting temporal response is described by the expression (t^-m) exp(-(t/tau)^beta). The analysis was applied to KNbO3 thin films. Measurements of the polarization, birefringence and dielectric transients show qualitative agreement with the model over 11 orders of magnitude in time.
The critical impact of epitaxial stress on the stabilization of the ferroelectric orthorhombic phase of hafnia is proved. Epitaxial bilayers of Hf0.5Zr0.5O2 and La0.67Sr0.33MnO3 electrodes were grown on a set of single crystalline oxide 001-oriented, cubic or pseudocubic setting, substrates with lattice parameter in the 3.71 - 4.21 A range. The lattice strain of the La0.67Sr0.33MnO3 electrode, determined by the lattice mismatch with the substrate, is critical in the stabilization of the orthorhombic phase of Hf0.5Zr0.5O2. On La0.67Sr0.33MnO3 electrodes tensile strained most of the Hf0.5Zr0.5O2…
We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO$_3$, PbTiO$_3$, LiNbO$_3$, and BiFeO$_3$ using first principles calculations. We find that while the strain dependence of the polarization is very strong in the simple perovskite systems BaTiO$_3$ and PbTiO$_3$ it is only weak in LiNbO$_3$ and BiFeO$_3$. We show that this different behavior can be understood purely in terms of the piezoelectric and elastic constants of the unstrained bulk material, and we discuss several factors that determine the strain behavior of a certain material.
Zirconia and hafnia based thin films have attracted tremendous attention in the last decade due to their unexpected ferroelectric behavior at the nanoscale, which facilitates the downscaling of ferroelectric devices. The present work reports a novel ferroelectric rhombohedral phase of ZrO2 that can be achieved in thin films grown on (111)- Nb:SrTiO3 substrates by ion-beam sputtering. Structural and ferroelectric characterizations reveal that the (111)-oriented ZrO2 films are under epitaxial compressive strain and display a switchable ferroelectric polarization of about 20.2 μC/cm2 with a coerc…
Domain structures of 320 nm thin epitaxial films of ferroelectric PbTiO3 grown by MOCVD technique in identical conditions on SmScO3 and TbScO3 perovskite sub- strates have been investigated by Raman spectroscopy and piezoresponse force microscopy techniques. Phonon frequency shifts and typical domain structure motifs are discussed. The results reveal strikingly different domain structure architecture: domain structures of the PbTiO3 film grown on SmScO3 have dominantly a-domain orientation while strongly preferential c-domain orientation was found in the PbTiO3 film grown on the TbScO3 substra…
Ferroelectrics display spontaneous and switchable electrical polarization. Until recently, ferroelectricity was believed to disappear at the nanoscale; now, nano-ferroelectrics are being considered in numerous applications. This renewed interest was partly fuelled by the observation of ferroelectric domains in films of a few unit cells thickness, promising further size reduction of ferroelectric devices. It turns out that at reduced scales and dimensionalities the material's properties depend crucially on the intricacies of domain formation, that is, the way the crystal splits into regions wit…
We use first principles density functional theory calculations to investigate the effect of biaxial strain in the low-temperature structural and ferroelectric properties of [111]-oriented SrTiO$_3$. We find that [111] biaxial strain, achievable by coherent epitaxial growth along the [111] direction, induces structural distortions in SrTiO$_3$ that are not present in either bulk or [001]-oriented SrTiO$_3$. Under [111] biaxial strain, SrTiO$_3$ displays ferroelectricity at tensile strain, and paraelectricity at compressive strain. We compute the phonon spectrum and macroscopic polarization of S…
Ferroelectric BaTiO3 films with large polarization have been integrated with Si(001) by pulsed laser deposition. High quality c-oriented epitaxial films are obtained in a substrate temperature range of about 300 deg C wide. The deposition temperature critically affects the growth kinetics and thermodynamics balance, resulting on a high impact in the strain of the BaTiO3 polar axis, which can exceed 2% in films thicker than 100 nm. The ferroelectric polarization scales with the strain and therefore deposition temperature can be used as an efficient tool to tailor ferroelectric polarization. The…
Doping ferroelectric Hf0.5Zr0.5O2 with La is a promising route to improve endurance. However, the beneficial effect of La on the endurance of polycrystalline films may be accompanied by degradation of the retention. We have investigated the endurance - retention dilemma in La-doped epitaxial films. Compared to undoped epitaxial films, large values of polarization are obtained in a wider thickness range, whereas the coercive fields are similar, and the leakage current is substantially reduced. Compared to polycrystalline La-doped films, epitaxial La-doped films show more fatigue but there is no…
After decades of searching for robust nanoscale ferroelectricity that could enable integration into the next generation memory and logic devices, hafnia-based thin films have appeared as the ultimate candidate because their ferroelectric (FE) polarization becomes more robust as the size is reduced. This exposes a new kind of ferroelectricity, whose mechanism still needs to be understood. Towards this end, thin films with increased crystal quality are needed. We report the epitaxial growth of Hf0.5Zr0.5O2 (HZO) thin films on (001)-oriented La0.7Sr0.3MnO3/SrTiO3 (STO) substrates. The films, whic…
A Landau-Ginsburg-Devonshire-type nonlinear phenomenological theory is presented, which enables the thermodynamic description of dense laminar polydomain states in epitaxial ferroelectric thin films. The theory explicitly takes into account the mechanical substrate effect on the polarizations and lattice strains in dissimilar elastic domains (twins). Numerical calculations are performed for PbTiO3 and BaTiO3 films grown on (001)-oriented cubic substrates. The "misfit strain-temperature" phase diagrams are developed for these films, showing stability ranges of various possible polydomain and si…
Flexoelectricity describes the coupling between polarization and strain/stress gradients in insulating crystals. In this paper, using the Landau-Ginsburg-Devonshire phenomenological approach, we found that flexoelectricity could increase the theoretical critical thickness in epitaxial BaTiO3 thin films, below which the switchable spontaneous polarization vanishes. This increase is remarkable in tensile films while trivial in compressive films due to the electrostriction caused decrease of potential barrier, which can be easily destroyed by the flexoelectricity, between the ferroelectric state …
Hafnia (HfO$_2$)-based thin films have promising applications in nanoscale electronic devices due to their robust ferroelectricity and integration with silicon. However, HfO$_2$ has various stable and metastable polymorphs with quite similar structures and energies. Identifying and stabilizing the ferroelectric functional phases of HfO$_2$ have attracted intensive research interest in recent years. In this work, first-principles calculations on (111)-oriented HfO$_2$ are used to discover that imposing an in-plane shear strain on the tetragonal phase induces a nonpolar to polar phase transition…
Highly ordered Bi2FeMnO6 epitaxial thin films have been successfully grown on SrTiO3 substrate. Both synchrotron X-ray reciprocal space mapping and high resolution transmission electron microscopy confirmed the alternative alignment of Fe and Mn along [111] direction of Bi2FeMnO6 films. Magnetic and ferroelectric properties of Bi2FeMnO6 films are characterized and analyzed. The room-temperature ferroelectricity is well kept in Bi2FeMnO6 film as expected. However, it is very interesting that Bi2FeMnO6 film exhibits a typical spin-glass behavior and very weak magnetism rather than a ferri/ferrom…
Doped HfO2 and HfO2-ZrO2 compounds are gaining significant interest thanks to their ferroelectric properties in ultrathin films. Here, we show that ZrO2 could be a playground for doping and strain engineering to increase the thickness in epitaxial thin films. Based on surface energy considerations supported by ab initio calculations, we show that a pure ZrO2 epitaxial thin film exhibits a ferroelectric rhombohedral phase (r-phase, with R3m space group) more stable than for the Hf0.5Zr0.5O2 (HZO) and pure HfO2 cases. In particular, for a thickness up to 37 nm we experimentally evidence a single…
Surfaces and interfaces of ferroelectric oxides exhibit enhanced functionality, and therefore serve as a platform for novel nano and quantum technologies. Experimental and theoretical challenges associated with examining the subtle electro-chemo-mechanical balance at metal-oxide surfaces have hindered the understanding and control of their structure and behavior. Here, we combine advanced electron-microscopy and first-principles thermodynamics methods to reveal the atomic-scale chemical and crystallographic structure of the surface of the seminal ferroelectric BaTiO3. We show that the surface …
We report on multiple fundamental qualitative improvements in the growth of improper ferroelectric hexagonal YMnO$_3$ (YMO) thin films and heterostructures by pulsed laser deposition (PLD). By a combination of pre-growth substrate annealing and low-energy-fluence PLD, we obtain a two-dimensional growth mode of the YMO films on yttria-stabilized zirconia (YSZ) with ultralow roughness and devoid of misoriented nanocrystalline inclusions. By inserting a sacrificial manganite layer capped with conducting indium-tin oxide between the substrate and the final film, the latter is grown in a fully latt…
A thermodynamic theory is developed for dense laminar domain structures in epitaxial ferrolectric films. It is found that, at some critical misfit strain between the film and substrate, the 90 degrees c/a/c/a domain structure becomes unstable with respect to the appearance of the polarization component parallel to domain walls, which results in the formation of a heterophase structure. For PbTiO_3 and BaTiO_3 films, the stability ranges of polydomain and heterophase states are determined using "misfit strain - temperature" diagrams. Dielectric anomalies accompanying misfit-strain-driven struct…
We studied the ferroelectric and ferromagnetic properties of compressive strained and unstrained BiMnO3 thin films grown by rf-magnetron sputtering. BiMnO3 samples exhibit a 2D cube-on-cube growth mode and a pseudo-cubic struc-ture up to a thickness of 15 nm and of 25 nm when deposited on (001) SrTiO3 and (110) DyScO3, respectively. Above these thicknesses we observe a switching to a 3D island growth and a simultaneous structural change to a monoclinic structure characterized by a (00l) orientation of the monoclinic unit cell. While ferromagnetism is observed below Tc = 100 K for all samples, …
The phenomenon of ferromagnetic resonance (FMR) provides fundamental information on the physics of magnetic materials and lies at the heart of a variety of signal processing microwave devices. Here we demonstrate theoretically that substrate-induced lattice strains may change the FMR frequency of an epitaxial ferromagnetic film dramatically, leading to ultralow and ultrahigh resonance frequencies at room temperature. Remarkably, the FMR frequency varies with the epitaxial strain nonmonotonically, reaching minimum at a critical strain corresponding to the strain-induced spin reorientation trans…
Tunnel devices based on ferroelectric Hf0.5Zr0.5O2 (HZO) barriers hold great promises for emerging data storage and computing technologies. The resistance state of the device can be changed by a suitable writing voltage. However, the microscopic mechanisms leading to the resistance change are an intricate interplay between ferroelectric polarization controlled barrier properties and defect-related transport mechanisms. Here is shown the fundamental role of the microstructure of HZO films setting the balance between those contributions. The oxide film presents coherent or incoherent grain bound…
We report on the dielectric properties of epitaxial [001] and [100]-textured thin films of antiferromagnetic orthorhombic YMnO3 and their variation under compressive epitaxial strain. It is found that weakly strained YMnO3 films are ferroelectric with a polarization along c-axis switchable by 90 degrees by an external magnetic field. When reducing film thickness and increasing epitaxial strain, the ferroelectric order is progressively suppressed. Analysis of structural, dielectric and magnetic data indicates that suppression of ferroelectricity when reducing thickness is accompanied by an enla…
Epitaxial orthorhombic Hf0.5Zr0.5O2 (HZO) films on La0.67Sr0.33MnO3 (LSMO) electrodes show robust ferroelectricity, with high polarization, endurance and retention. However, no similar results have been achieved using other perovskite electrodes so far. Here, LSMO and other perovskite electrodes are compared. A small amount of orthorhombic phase and low polarization is found in HZO films grown on La-doped BaSnO3 and Nb-doped SrTiO3, while null amounts of orthorhombic phase and polarization are detected in films on LaNiO3 and SrRuO3. The critical effect of the electrode on the stabilized phases…
The mean-field Landau-type theory is used to analyze the polarization properties of epitaxial ferroelectric thin films grown on dissimilar cubic substrates, which induce biaxial compressive stress in the film plane. The intrinsic effect of the film surfaces on the spontaneous polarization is taken into account via the concept of the extrapolation length. The theory simultaneously allows for the influence of the misfit strain imposed on the film lattice by a thick substrate. Numerical calculations are performed for PbTiO3 and BaTiO3 films under an assumption of the polarization reduction in sur…
Multiferroic materials open up the possibility to design novel functionality in electronic devices, with low energy consumption. However, there are very few materials that show multiferroicity at room temperature, which is essential to be practically useful. AlxFe2-xO3 (x-AFO) thin films, belonging to the k-Al2O3 family are interesting because they show room temperature ferrimagnetism and have a polar crystal structure. However, it is difficult to realise its ferroelectric properties at room temperature, due to low resistivity of the films. In this work, we have deposited x-AFO (0.5 <= x <= 1)…
Superlattices composed of ferromagnetic La0.6Sr0.4MnO3 and ferroelectric 0.7Pb(Mg0,33Nb0.66)O3 0.3(PbTiO3) layers were fabricated on (100) LaAlO3 substrates by pulsed laser deposition technique. Ferromagnetic and frequency independent ferroelectric hysteresis characteristics established the biferroic nature of the superlattices. Influence of magnetic field was observed in tuning the P-E characteristics of the superlattices. Similar effect was observed on application of a high DC electric field to the samples. The nature of the observed ferroelectric properties and their modulation by applied m…
Epitaxial ferroelectric HfO2 films are the most suitable to investigate intrinsic properties of the material and for prototyping emerging devices. Ferroelectric Hf0.5Zr0.5O2(111) films have been epitaxially stabilized on La2/3Sr1/3MnO3(001) electrodes. This epitaxy, considering the symmetry dissimilarity and the huge lattice mismatch, is not compatible with conventional mechanisms of epitaxy. To gain insight into the epitaxy mechanism, scanning transmission electron microscopy characterization of the interface was performed, revealing arrays of dislocations with short periodicities. These obse…
We report on nanoscale strain gradients in ferroelectric HoMnO3 epitaxial thin films, resulting in a giant flexoelectric effect. Using grazing-incidence in-plane X-ray diffraction, we measured strain gradients in the films, which were 6 or 7 orders of magnitude larger than typical values reported for bulk oxides. The combination of transmission electron microscopy, electrical measurements, and electrostatic calculations showed that flexoelectricity provides a means of tuning the physical properties of ferroelectric epitaxial thin films, such as domain configurations and hysteresis curves.
First principles calculations are used to investigate the effects of epitaxial strain on the structure of the perovskite oxide CaTiO$_3$, with particular focus on the stabilization of a ferroelectric phase related to a polar instability hidden in the orthorhombic equilibrium bulk $Pbnm$ structure but found in previous first-principles studies of the ideal cubic perovskite high-symmetry reference structure. At 1.5% strain, we find an epitaxial orientation transition between the $ab$-$ePbnm$ phase, favored for compressive strains, and the $c$-$ePbnm$ phase. For larger tensile strains, a polar in…
The discovery of ferroelectricity in both pure and doped HfO$_2$-based thin films have revitalized the interest in using ferroelectrics for nanoscale device applications. To take advantage of this silicon-compatible ferroelectric, fundamental questions such as the origin of ferroelectricity and better approach to controlled realization of ferroelectricity at the nanoscale need to be addressed. The emergence of robust polarization in HfO$_2$-based thin films is considered as the cumulative effect of various extrinsic factors such as finite-size effects and surface/interface effects of small gra…
The strain dependent functional properties of epitaxial transition metal oxide films can be significantly modified via substrate selection. However, large lattice mismatches preclude dislocation-free epitaxial growth on ferroelectric substrates, whose strain states are modified by applied electric fields. Here we overcome this mismatch problem by depositing an epitaxial film of ferromagnetic La0.7Sr0.3MnO3 on a single crystal substrate of well lattice matched SrTiO3 via a film of SrRuO3 that we subsequently dissolved, permitting the transfer of unstrained La0.7Sr0.3MnO3 to a ferroelectric subs…
Polar metals characterized by the simultaneous coexistence of ferroelectric distortions and metallicity have attracted tremendous attention. Developing such materials at low dimensions remains challenging since both conducting electrons and reduced dimensions are supposed to quench ferroelectricity. Here, based on first-principles calculations, we report the discovery of ferroelectric behavior in two-dimensional (2D) metallic materials with electrostatic doping, even though ferroelectricity is unconventional at the atomic scale. We reveal that PbTe monolayer is intrinsic ferroelectrics with pr…
Epitaxial strain has been shown to drive structural phase transitions along with novel functionalities in perovskite-based thin-films. Aliovalent doping at the A-site can drive an insulator-to-metal and magnetic transitions in perovskites along with a variety of interesting structural and electronic phenomena. Using first-principles calculations, we demonstrate here, how coupling epitaxial strain with A-site hole doping in a multiferroic double perovskite, Bi2FeCrO6, could lead to mitigation of issues related to anti-site defects and lowered magnetisation in thin-films of the material. We also…
Epitaxial ferroelectric Hf0.5Zr0.5O2 films have been successfully integrated in a capacitor heterostructure on Si(001). The orthorhombic Hf0.5Zr0.5O2 phase, [111] out-of-plane oriented, is stabilized in the films. The films present high remnant polarization Pr close to 20 μC/cm2, rivaling with equivalent epitaxial films on single crystalline oxide substrates. Retention time is longer than 10 years for writing field of around 5 MV/cm, and the capacitors show endurance up to 1E9 cycles for writing voltage of around 4 MV/cm. It is found that the formation of the orthorhombic ferroelectric phase d…
