We report and compare the structural, magnetic, and optical properties of ordered La2NiMnO6 thin films and its disordered LaNi0.5Mn0.5O3 counterpart. An x-ray diffraction study reveals that the B-site Ni/Mn ordering induces additional XRD reflections as the crystal symmetry is transformed from a pseudocubic perovskite unit cell in the disordered phase to a monoclinic form with larger lattice parameters for the ordered phase. Polarized Raman spectroscopy studies reveal that the ordered samples are characterized by additional phonon excitations that are absent in the disordered phase. The appearance of these additional phonon excitations is interpreted as the clearest signature of Brillouin zone folding as a result of the long-range Ni/Mn ordering in La2NiMnO6. Both ordered and disordered materials display a single ferromagnetic-to-paramagnetic transition. The ordered films display also a saturation magnetization close to 4.8 mB/f.u. and a transition temperature (FM-TC) around 270 K, while the disordered ones have only a 3.7 mB/f.u. saturation magnetization and a FM-TC around 138 K. The differences in their magnetic behaviours are understood based on the distinct local electronic configurations of their Ni/Mn cations.
Precise arrays of sub-100 nm diameter nanodots are fabricated from magnetic oxide perovskites with the total coverage area up to 5 mm2. Epitaxial single crystal structure of the nanodots is demonstrated by cross-sectional TEM. Low temperature MFM study confirmed the ferromagnetism of the produced particles.
Using an extension of a first-principles method developed by King-Smith and Vanderbilt [Phys. Rev. B {\bf 49}, 5828 (1994)], we investigate the effects of in-plane epitaxial strain on the ground-state structure and polarization of eight perovskite oxides: BaTiO$_3$, SrTiO$_3$, CaTiO$_3$, KNbO$_3$, NaNbO$_3$, PbTiO$_3$, PbZrO$_3$, and BaZrO$_3$. In addition, we investigate the effects of a nonzero normal stress. The results are shown to be useful in predicting the structure and polarization of perovskite oxide thin films and superlattices.
Chalcogenide perovskites have emerged as a new class of electronic materials, but fundamental properties and applications of chalcogenide perovskites remain limited by the lack of high quality epitaxial thin films. We report epitaxial thin film growth of BaZrS3, a prototypical chalcogenide, by pulsed laser deposition. X-ray diffraction studies show that the films are strongly textured out of plane and have a clear in-plane epitaxial relationship with the substrate. Electron microscopy studies confirm the presence of epitaxy for the first few layers of the film at the interface, even though awa…
We have studied the atomic ordering of B-site transition metals and magnetic properties in the pulsed-laser deposited films of La2CrFeO6 (LCFO) and La2VMnO6 (LVMO), whose bulk materials are known to be single perovskites with random distribution of the B-site cations. Despite similar ionic characters of constituent transition metals in each compound, the maximum B-site order attained was surprisingly high, ~90% for LCFO and ~80% for LVMO, suggesting a significant role of epitaxial stabilization in the spontaneous ordering process. Magnetization and valence state characterizations revealed that…
Ferromagnetic insulators (FMIs) are one of the most important components in developing dissipationless electronic and spintronic devices. However, since ferromagnetism generally accompanies metallicity, FMIs are innately rare to find in nature. Here, novel room-temperature FMI films are epitaxially synthesized by deliberate control of the ratio of two B-site cations in the double perovskite Sr2FeReO6. In contrast to the known ferromagnetic metallic phase in stoichiometric Sr2FeReO6, a FMI state with a high Curie temperature (Tc~400 K) and a large saturation magnetization (MS~1.8 μB/f.u.) is fo…
Epitaxial III-V semiconductor heterostructures are key components in modern microelectronics, electro-optics and optoelectronics. With superior semiconducting properties, halide perovskite materials are rising as promising candidates for coherent heterostructure devices. In this report, spinodal decomposition is proposed and experimentally implemented to produce epitaxial double heterostructures in halide perovskite system. Pristine epitaxial mixed halide perovskites rods and films were synthesized via Van der Waals epitaxy by chemical vapor deposition method. At room temperature, photon was a…
The phase transition behaviour of PbTiO3 and BaTiO3 under (111) epitaxial strain is investigated using density-functional theory calculations. From tensile strains of +0.015 to compressive strains of -0.015, PbTiO3 undergoes phase transitions from C2 through two Cm phases and then to R3m. The total polarisation is found to be almost independent of strain. For the same range of strains BaTiO3 undergoes phase transitions from a single Cm phase, through R3m and then to R-3m. In this case the application of compressive strain inhibits and then completely suppresses the polarisation on transition t…
The oxygen evolution reaction (OER) is considered a key reaction for electrochemical energy conversion but slow kinetics hamper application in electrolyzers, metal-air batteries and other applications that rely on sustainable protons from water oxidation. In this review, the prospect of epitaxial perovskite oxides for the OER at room temperature in alkaline media is reviewed with respect to fundamental insight into systematic trends of the activity. First, we thoroughly define the perovskite structure and its parameter space. Then, the synthesis methods used to make electrocatalytic epitaxial …
The hybrid perovskite CH3NH3PbX3 (X= Cl, Br, I) is a promising material for developing novel optoelectronic devices. Owing to the intrinsic non-layer structure, it remains challenging to synthesize molecularly thin CH3NH3PbX3 with large size. Here, we report a low-cost and highly efficient fabrication route to obtain large-scale single-crystalline 2D CH3NH3PbX3 perovskites on a mica substrate via liquid epitaxy. The 2D perovskite is characterized as 8 nm in thickness and hundreds of micrometers in lateral size. First-principles calculations suggest the strong potassium-halogen interactions at …
We investigate energetically favorable structures of ABO$_2$N oxynitrides as functions of pressure and strain via swarm-intelligence-based structure prediction methods, DFT lattice dynamics and first-principles molecular dynamics. We predict several thermodynamically stable polar oxynitride perovskites under high pressures. In addition, we find that ferroelectric polar phases of perovskite-structured oxynitrides can be thermodynamically stable and synthesized at high pressure on appropriate substrates. The dynamical stability of the ferroelectric oxynitrides under epitaxial strain at ambient p…
Polycrystalline Sr$_3$OsO$_6$, which is an ordered double-perovskite insulator, is synthesized via solid-state reaction under high-temperature and high-pressure conditions of 1200 $^\circ$C and 6 GPa. The synthesis enables us to conduct a comparative study of the bulk form of Sr$_3$OsO$_6$ toward revealing the driving mechanism of 1000 K ferromagnetism, which has recently been discovered for epitaxially grown Sr$_3$OsO$_6$ films. Unlike the film, the bulk is dominated by antiferromagnetism rather than ferromagnetism. Therefore, robust ferromagnetic order appears only when Sr$_3$OsO$_6$ is unde…
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…
We demonstrate the making of BaZrS3 thin films by molecular beam epitaxy (MBE). BaZrS3 forms in the orthorhombic distorted-perovskite structure with corner-sharing ZrS6 octahedra. The single-step MBE process results in films smooth on the atomic scale, with near-perfect BaZrS3 stoichiometry and an atomically-sharp interface with the LaAlO3 substrate. The films grow epitaxially via two, competing growth modes: buffered epitaxy, with a self-assembled interface layer that relieves the epitaxial strain, and direct epitaxy, with rotated-cube-on-cube growth that accommodates the large lattice consta…
Optoelectronic technologies are based on families of semiconductor alloys. It is rare that a new semiconductor alloy family is developed to the point where epitaxial growth is possible; since the 1950s, this has happened approximately once per decade. Here we demonstrate epitaxial thin film growth of semiconducting chalcogenide perovskite alloys in the Ba-Zr-S-Se system by gas-source molecular beam epitaxy (MBE). We stabilize the full range y = 0 ... 3 of compositions BaZrS$_{(3-y)}$Se$_y$ in the perovskite structure, up to and including BaZrSe$_3$, by growing on BaZrS$_3$ epitaxial templates.…
Intense hard x-ray pulses from a free-electron laser induce irreversible structural damage in a perovskite oxide epitaxial heterostructure when pulse fluences exceed a threshold value. The intensity of x-ray diffraction from a 25-nm thick epitaxial BiFeO$_{3}$ layer on a SrTiO$_{3}$ substrate measured using a series of pulses decreases abruptly with a per-pulse fluence of 2.7 x 10$^{6}$ photons $μ$m$^{-2}$ at 9.7 keV photon energy, but remains constant for 1.3 x 10$^{6}$ photons $μ$m$^{-2}$ or less. The damage resulted in the destruction of the BiFeO$_{3}$ thin film within the focal spot area …
We demonstrate fabrication of atomically sharp interfaces between nitride antiperovskite Mn$_{3}$GaN and oxide perovskites (La$_{0.3}$Sr$_{0.7}$)(Al$_{0.65}$Ta$_{0.35}$)O$_{3}$ (LSAT) and SrTiO$_{3}$ as paradigms of nitride-antiperovskite/oxide-perovskite heterostructures. Using a combination of scanning transmission electron microscopy (STEM), atomic-resolution spectroscopic techniques, and first-principle calculations, we investigated the atomic-scale structure, composition, and boding at the interface. We show that the epitaxial growth between the antiperovskite and perovskite compounds is …
Oxide electronics relies on the availability of epitaxial oxide thin films. The extreme flexibility of the chemical composition of ABO3 perovskites and the broad spectrum of properties they cover, inspire the creativity of scientists and place perovskites in the lead of functional materials for advanced technologies. Moreover, emerging properties are being discovered at interfaces between distinct perovskites that could not be anticipated on the basis of those of the adjacent epitaxial layers. All dreamed new prospects require the use of suitable substrates for epitaxial growth. Perovskite sin…
The first examples of single crystal epitaxial thin films of a high entropy perovskite oxide are synthesized. Pulsed laser deposition is used to grow the configurationally disordered ABO3 perovskite, Ba(Zr0.2Sn0.2Ti0.2Hf0.2Nb0.2)O3, epitaxially on SrTiO3 and MgO substrates. X-ray diffraction and scanning transmission electron microscopy demonstrate that the films are single phase with excellent crystallinity and atomically abrupt interfaces to the underlying substrates. Atomically-resolved electron energy loss spectroscopy mapping shows a uniform and random distribution of all B-site cations. …
The lattice of (001)-oriented BiFeO$_3$ epitaxial thin film has been identified by synchrotron x-ray diffraction. By choosing proper scattering zones containing the fixed (001) reflection, we have shown that low-symmetry phases similar to a $M_A$ phase exist in the thin film at room temperature. These results demonstrate a change in phase stability from rhombohedral in bulk single crystals, to a modified monoclinic structure in epitaxial thin films.
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…
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…
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…
In order to obtain Ni-Mn-Ga epitaxial films crystallized in martensite structures showing Magnetic-Induced Rearrangement (MIR) of martensite variants, a fine control of the composition is required. Here we present how the co-sputtering process might be helpful in the development of Ni-Mn-Ga epitaxial films. A batch of epitaxial Ni-Mn-Ga films deposited by co-sputtering of a Ni-Mn-Ga ternary target and a pure manganese target has been studied. The co-sputtering process allows a precise control of the film compositions and enables keeping the epitaxial growth of Ni-Mn-Ga austenite during deposit…
In this work the charge transport properties of charge ordered (CO) La1-xCaxMnO3 (LCMO) (x= 0.55, 0.67) epitaxial thin films and polycrystals are discussed following the recent controversy of localised electron states vs. weakly or de- localised charge density wave (CDW) states in CO manganites. The transport properties were investigated by current vs. voltage, direct current resistivity vs. temperature, local activation energy vs. temperature, magnetoresistance and admittance spectroscopy measurements, which all indicated a localised electronic structure in the single CO phase. Delocalised ch…
The authors demonstrated that a full-Heusler Co2FeGe (CFG) alloy thin film was epitaxially grown by rapid-thermal-annealing-induced germanidation of an Fe/Co/pseudo-Ge(001)-on-insulator (GOI) multilayer formed on a Si-on-insulator (SOI) substrate. X-ray diffraction (XRD) measurements with the out-of-plane and in-plane configurations revealed that the CFG film was epitaxially grown along the [001] direction with the in-plane epitaxial relation of CFG[100]||GOI[100], although the film slightly contained a texture component. The strong (111) and (200) superlattice diffraction intensities indicate…
Thin epitaxial GaAs films, with thickness varying from 140 to 1000 nm and different Si doping levels, were grown at 650C by organometallic vapor phase epitaxy (OMVPE) on Ge substrates and extensively analyzed by low-temperature photoluminescence (PL) spectroscopy.
We review the role that first-principles calculations have played in understanding the effects of substrate-imposed misfit strain on epitaxially grown perovskite ferroelectric films. We do so by analyzing the case of BaTiO$_3$, complementing our previous publications on this subject with unpublished data to help explain in detail how these calculations are done. We also review similar studies in the literature for other perovskite ferroelectric-film materials.
We report on the synthesis of perovskite SrIrO3 thin films using sputtering technique. Single phase (110) oriented SrIrO$_3$ thin films were epitaxially grown on SrTiO3 (001) substrate. Using off-axis XRD $θ-2θ$ scans, we demonstrate that these films exhibit (110) out-of-plane orientation with (001) and (1-10) lying in-plane. The sputtering grown thin films have a smooth, homogeneous surface, and excellent coherent interface with the substrate.
Epitaxial copper thin films were deposited by magnetron sputtering. The adatoms during deposition are influenced by deposition parameters which cause variations in thin film properties. XRD and FESEM studies were done to get an insight into the growth mechanisms of the films. A modeling has been done on the epitaxial thin film growth with sputtering process. The parameters during sputtering like, sputtering yield, pressure, temperature, current density, deposition time were related and an attempt has been made to analyze the sputtering process.
We present results on growth of large area epitaxial ReS2 thin film both on c plane sapphire substrate and MoS2 template by pulsed laser deposition (PLD). Films tend to grow with (0001) ReS2 perpendicular to (0001) Al2O3 and (0001) ReS2 perpendicular to (0001) MoS2 parallel to (0001) Al2O3 at deposition temperature below 300 deg C. Films are polycrystalline grown at temperature above 300 deg C. The smoothness and quality of the films are significantly improved when grown on MoS2 template compared to sapphire substrate. The results show that PLD is suitable to grow ReS2 epitaxial thin film over…
We report on atomic ordering of B-site transition-metals and magnetic properties of epitaxial La2CrFeO6 double-perovskite films grown by pulsed-laser deposition under various conditions. The highest ordered sample exhibited a fraction of antisite-disorder of only 0.05 and a saturation magnetization of ~2μ_{B} per formula unit at 5 K. The result is consistent with the antiferromagnetic ordering of local spin moment (3d^{3}_{\downarrow}3d^{5}_{\uparrow}; S = -3/2+5/2 = 1). Therefore, the magnetic ground state of La2CrFeO6 double-perovskite that has been long debate is unambiguously revealed to b…
A method is developed which allows to determine the first-order and the second-order magnetoelastic coefficients of a magnetic bulk material from the ab-initio calculation of the magnetocrystalline anisotropy energy as function of a prestrain. Excplicit results are given for bcc Fe, and they agree well with experimental data obtained from the magnetostrictive stress measurements for epitaxial Fe films.
Transition metal oxide thin films show versatile electrical, magnetic, and thermal properties which can be tailored by deliberately introducing macroscopic grain boundaries via polycrystalline solids. In this study, we focus on the modification of the magnetic and thermal transport properties by fabricating single- and polycrystalline epitaxial SrRuO3 thin films using pulsed laser epitaxy. Using epitaxial stabilization technique with atomically flat polycrystalline SrTiO3 substrate, epitaxial polycrystalline SrRuO3 thin film with crystalline quality of each grain comparable to that of single-c…
We report on the effect of epitaxial strain on magnetic and optical properties of perovskite LaCrO3 (LCO) single crystal thin films. Epitaxial LCO thin films are grown by pulsed laser deposition on proper choice of substrates to impose different strain states. A combined experimental and theoretical approach is used to demonstrate the direct correlation between lattice-strain and functional properties. The magnetization results show that the lattice anisotropy plays a critical role in controlling the magnetic behavior of LCO films. The strain induced tetragonality in the film lattice strongly …
We demonstrate high-quality epitaxial germanium (Ge) films on a metallic silicide, Fe3Si, grown directly on a Ge(111) substrate. Using molecular beam epitaxy techniques, we can obtain an artificially controlled arrangement of silicon (Si) or iron (Fe) atoms at the surface on Fe3Si(111). The Si-terminated Fe3Si(111) surface enables us to grow two-dimensional epitaxial Ge films, whereas the Fe-terminated one causes the three-dimensional epitaxial growth of Ge films. The high-quality Ge grown on the Si-terminated surface has almost no strain, meaning that the Ge films are not grown on the low-tem…
Epitaxial films have the potential to be used as model systems for fundamental investigations on the martensitic transformation in binary NiTi. In this paper, we discuss growth of binary NiTi thin films on single crystalline MgO substrates. Sputter deposition is used to grow NiTi films. Films prepared by complementary preparation routes (with different deposition temperatures and subsequent heat treatments) are investigated by X-ray diffraction, electron microscopy, atomic force microscopy, and electrical resistivity measurements, with the aim of optimizing film properties, particularly to obt…
We showed that a wetting layer in epitaxially strained thin films which decreases with increasing lattice mismatch strain arises due to the variation of nonlinear elastic free energy with film thickness. We calculated how and at what thickness a flat film becomes unstable to perturbations of varying size for films with both isotropic and anisotropic surface tension. We showed that anisotropic surface tension gives rise to a metastable enlarged wetting layer. The perturbation amplitude needed to destabilize this wetting layer decreases with increasing lattice mismatch. We also studied the early…
We analyze X-ray diffraction data used to extract cell parameters of ultrathin films on closely matching substrates. We focus on epitaxial La2/3Sr1/3MnO3 films grown on (001) SrTiO3 single crystalline substrates. It will be shown that, due to extremely high structural similarity of film and substrate, data analysis must explicitly consider the distinct phase of the diffracted waves by substrate and films to extract reliable unit cell parameters. The implications of this finding for the understanding of strain effects in ultrathin films and interfaces will be underlined
Epitaxial films of bismuth telluride topological insulators have received increasing attention due to potential applications in spintronic and quantum computation. One of the most important properties of epitaxial films is the presence of interface defects due to lateral lattice mismatch since electrically active defects can drastically compromise device performance. By describing hybrid reflections in hexagonal bismuth telluride films on cubic substrates, in-plane lattice mismatches were characterized with accuracy at least 20 times better than using other X-ray diffraction methods, providing…
We investigated SrFeO$_{3-x}$ thin films on a SrTiO$_3$ (001) substrate prepared via pulsed laser epitaxy using an optical spectroscopy technique. The oxygen vacancy level ($x$) was controlled by post-annealing processes at different oxygen partial pressures. We achieved a brownmillerite(BM) structure at $x =$ 0.5 and observed the evolution of the crystal structure from BM into perovskite(PV) as the oxygen concentration increased. We observed the evolution of infrared-active phonons with respect to the oxygen concentration, which was closely related to the structural evolution observed via X-r…
I present here theory of PZT thin film - MgO substrate system thermal expansion effect. I show that elastic properties of the substrate have to be taken into account to describe this effect.
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…
Thin epitaxial films of metals on insulating substrates are essential for many applications, as conducting layers, in magnetic devices or as templates for further growth. In this work, we report on the growth of epitaxial Ru films on single-crystalline Al$_2$O$_3$(0001) substrates by magnetron sputtering and their subsequent systematic characterization using Rutherford backscattering spectrometry of He ions both in random and in channeling conditions. We include results of a Ru(0001) single crystal for comparison. Analysis of channeling shows that films thicker than 35 nm grow with (0001) orie…
We investigated the origin of ferromagnetism in epitaxially grown Mn-doped Ge thin films. Using low-temperature molecular beam epitaxy, Mn-doped Ge films were successfully grown without precipitation of ferromagnetic Ge-Mn intermetallic compounds, such as Mn5Ge3. Magnetic circular dichroism measurements revealed that the epitaxially grown Mn-doped Ge films exhibited clear ferromagnetic behavior, but the Zeeman splitting observed at the critical points was not induced by the s,p-d exchange interactions. High-resolution transmission electron microscopy and energy dispersive X-ray spectroscopy an…
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-…
We perform first-principles density functional calculations to explore the role of substrate proximity effects on the octahedral rotation patterns in perovskite oxide superlattices. With cubic perovskite SrFeO$_3$ as our model film and tetragonal SrTiO$_3$ as the substrate, we show that in most cases the substrate octahedral rotation patterns propagate into the film across the heterointerface. We also identify elastic boundary conditions for which the enforced structural coherence induces atomic displacement patterns that are not found in the bulk phase diagram of either individual constituent…
The experimental data on the thermal properties of the nanostructured perovskite ferroelectrics are presented and analysed. The ability of the modified 3w method for specific heat measurements is discussed and illustrated by the thermal properties of the thin polycrystalline (BaTiO3 on fused SiO2, 50-1100 nm) and epitaxial (BaTiO3 on MgO, 50-500 nm) films. The similarity of specific heat, phase transition excess entropy evolution in polycrystalline films and nanograined ceramics is revealed. The data on the specific heat of epitaxial films show the extremely diffused anomaly near 400 K, the ph…
Magnetite epitaxial thin films have been prepared by pulsed laser deposition at 340 C on MgO and Si substrates. One key result is that the thin film properties are almost identical to the properties of bulk material. For 40 - 50 nm thick films, the saturation magnetization and conductivity are respectively 453 emu/cm^3 and 225 1/(Ohm cm) at room temperature. The Verwey transition is at 117 K. The Hall effect indicates an electron concentration corresponding to 0.22 electrons per formula unit at room temperature. Normal and anomalous Hall effect both have a negative sign.
X-ray diffraction (XRD) data and analysis for epitaxial iron selenide thin films grown by pulsed laser deposition (PLD) are presented. The films contain $β$-FeSe and Fe$_7$Se$_8$ phases in a double epitaxy configuration with the $β$-FeSe phase (001) oriented on the (001) MgO growth substrate. Fe$_7$Se$_8$ simultaneously takes on two different epitaxial orientations in certain growth conditions, exhibiting both (101)- and (001)- orientations. Each of these orientations are verified with the presented XRD data. Additionally, XRD data used to determine the PLD target composition as well as mosaic…
We report studies of ferroelectricity in ultra-thin perovskite films with realistic electrodes. The results reveal stable ferroelectric states in thin films less than 10 Åthick with polarization normal to the surface. Under short-circuit boundary conditions, the screening effect of realistic electrodes and the influence of real metal/oxide interfaces on thin film polarization are investigated. Our studies indicate that metallic screening from the electrodes is affected by the difference in work functions at oxide surfaces. We demonstrate this effect in ferroelectric PbTiO$_3$ and BaTiO$_3$ fil…
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…
