Interface polarization model for a 2-dimensional electron gas at the BaSnO3/LaInO3 interface

In order to explain the experimental sheet carrier density n2D at the interface of BaSnO3/LaInO3, we consider a model that is based on the presence of interface polarization in LaInO3 which extends over 2 pseudocubic unit cells from the interface and eventually disappears in the next 2 unit cells. Considering such interface polarization in calculations based on 1D Poisson-Schrödinger equations, we consistently explain the dependence of the sheet carrier density of BaSnO3/LaInO3 heterinterfaces on the thickness of the LaInO3 layer and the La doping of the BaSnO3 layer. Our model is supported by a quantitative analysis of atomic position obtained from high resolution transmission electron microscopy which evidences suppression of the octahedral tilt and a vertical lattice expansion in LaInO3 over 2–3 pseudocubic unit cells at the coherently strained interface

Intentional polarity conversion of AlN epitaxial layers by oxygen

Nitride materials (AlN, GaN, InN and their alloys) are commonly used in optoelectronics, high-power and high-frequency electronics. Polarity is the essential characteristic of these materials: when grown along c-direction, the films may exhibit either N- or metal-polar surface, which strongly influences their physical properties. The possibility to manipulate the polarity during growth allows to establish unique polarity in nitride thin films and nanowires for existing applications but also opens up new opportunities for device applications, e.g., in non-linear optics. In this work, we show that the polarity of an AlN film can intentionally be inverted by applying an oxygen plasma. We anneal an initially mixed-polar AlN film, grown on sapphire substrate by metal-organic vapor phase epitaxy (MOVPE), with an oxygen plasma in a molecular beam epitaxy (MBE) chamber; then, back in MOVPE, we deposit a 200 nm thick AlN film on top of the oxygen-treated surface. Analysis by high-resolution probe-corrected scanning transmission electron microscopy (STEM) imaging and electron energy-loss spectroscopy (EELS) evidences a switch of the N-polar domains to metal polarity. The polarity inversion is mediated through the formation of a thin AlxOyNz layer on the surface of the initial mixed polar film, induced by the oxygen annealing

Evolution of planar defects during homoepitaxial growth of β-Ga2O3 layers on (100) substrates—A quantitative model

We study the homoepitaxial growth of β-Ga2O3 (100) grown by metal-organic vapour phase as dependent on miscut-angle vs. the c direction. Atomic force microscopy of layers grown on substrates with miscut-angles smaller than 2° reveals the growth proceeding through nucleation and growth of two-dimensional islands. With increasing miscut-angle, step meandering and finally step flow growth take place. While step-flow growth results in layers with high crystalline perfection, independent nucleation of two-dimensional islands causes double positioning on the (100) plane, resulting in twin lamellae and stacking mismatch boundaries. Applying nucleation theory in the mean field approach for vicinal surfaces, we can fit experimentally found values for the density of twin lamellae in epitaxial layers as dependent on the miscut-angle. The model yields a diffusion coefficient for Ga adatoms of D = 7 × 10−9 cm2 s−1 at a growth temperature of 850 °C, two orders of magnitude lower than the values published for GaAs

Evidence of a second-order Peierls-driven metal-insulator transition in crystalline NbO2

The metal-insulator transition of NbO2 is thought to be important for the functioning of recent niobium oxide-based memristor devices, and is often described as a Mott transition in these contexts. However, the actual transition mechanism remains unclear, as current devices actually employ electroformed NbOx that may be inherently different to crystalline NbO2. We report on our synchrotron x-ray spectroscopy and density-functional-theory study of crystalline, epitaxial NbO2 thin films grown by pulsed laser deposition and molecular beam epitaxy across the metal-insulator transition at ~810⁰C. The observed spectral changes reveal a second-order Peierls transition driven by a weakening of Nb dimerization without significant electron correlations, further supported by our density-functional-theory modeling. Our findings indicate that employing crystalline NbO2 as an active layer in memristor devices may facilitate analog control of the resistivity, whereby Joule-heating can modulate Nb-Nb dimer distance and consequently control the opening of a pseudogap

Influence of strain on the indium incorporation in (0001) GaN

The incorporation of indium in GaN (0001) surfaces in dependence of strain is investigated by combining molecular-beam epitaxy (MBE) growth, quantitative transmission electron microscopy, and density-functional theory (DFT) calculations. Growth experiments were conducted on GaN, as well as on 30±2 partially relaxed In0.19Ga0.81N buffer layers, serving as substrates. Despite the only 0.6 larger in-plane lattice constant of GaN provided by the buffer layer, our experiments reveal that the In incorporation increases by more than a factor of two for growth on the In0.19Ga0.81N buffer, as compared to growth on GaN. DFT calculations reveal that the decreasing chemical potential due to the reduced lattice mismatch stabilizes the In-N bond at the surface. Depending on the growth conditions (metal rich or N rich), this promotes the incorporation of higher In contents into a coherently strained layer. Nevertheless, the effect of strain is highly nonlinear. As a consequence of the different surface reconstructions, growth on relaxed InxGa1-xN buffers appears more suitable for metal-rich MBE growth conditions with regard to achieving higher In compositions. © 2020 American Physical Society

Combined impact of strain and stoichiometry on the structural and ferroelectric properties of epitaxially grown Na1+x_{1 + x} Nb O3+δ_{3 + δ} films on (110) NdGa O3_{3}

We demonstrate that the strain of an epitaxially grown film, which is induced by the lattice mismatch between the crystalline substrate and film and relaxes with increasing film thickness, can be conserved beyond the critical thickness of plastic relaxation of the respective film/substrate heterostructure system by adding epitaxially embedded nanoprecipitates and/or nanopillars of a secondary phase. By doing so we modify the ferroelectric properties of the film in a very controlled way. For this purpose, strained Na1+xNbO3+δ films are epitaxially grown on (110)NdGaO3 and their structural and electronic properties are investigated. X-ray diffraction and transmission electron microscopy analysis indicate that in addition to the epitaxially grown majority phase NaNbO3, a second phase NayNbO3+δ is present in the films and forms crystalline precipitates and vertically aligned pillars a few nanometers in diameter. For large enough concentrations, this secondary phase appears to be able to suppress the plastic relaxation of the NaNbO3 matrix. In contrast to stoichiometric films and films with small Na excess, which demonstrate strain relaxation for film thickness exceeding a few nanometers and relaxor-type ferroelectric behavior, the Na1+xNbO3+δ film with the largest off-stoichiometry (grown from a target with x=17%) exhibits the “classic” ferroelectric behavior of unstrained NaNbO3 with a hysteretic structural and ferroelectric transition. However, the temperature of this hysteretic transition is shifted from 616 K to 655 K for unstrained material to room temperature for the strained Na1+xNbO3+δ film grown from the off-stoichiometric target