Materials Literature
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Lead iodide perovskites have attracted considerable interest in the upcoming photovoltaic technologies and optoelectronic devices. Therefore, an accurate theoretical description of the electronic and optical properties especially to understand the excitonic effects in this class of materials is of scientific and pract…
Abstract An implementation of a lattice-based approach for computing the topological skyrmion charge is provided for the open source micromagnetics code mumax3. Its accuracy with respect to an existing method based on finite difference derivatives is compared for three different test cases. The lattice-based approach…
Crystal and electronic structure, lattice dynamics and thermodynamic stability of little known mixed valent diamagnetic AgIAgIIIF4 beta form of AgF2 is thoroughly examined for the first time and compared with well known antiferromagnetic AgIIF2 alpha form within the framework of Density Functional Theory based methods…
Understanding the structure and chemical composition at the liquid–nanoparticle (NP) interface is crucial for a wide range of physical, chemical, and biological processes. In this study, direct imaging of the liquid–NP interface by atom probe tomography (APT) is reported for the first time, which reveals the distribut…
Abstract We show evidence that tunnel junctions (TJs) in GaN grown by metal-organic vapor phase epitaxy are dominated by defect level-assisted tunneling. This is in contrast with the common belief that highly doped layers (>10 20 cm −3 ) are required to narrow the TJ space charge region and promote the band-to-band tu…
This article reports the structural and magnetic characterisation of a new hexagonal ($P6_3cm$) low-temperature phase of Ba$_3$Tb(BO$_3$)$_3$, isostructural with the heavier lanthanide borates with formula Ba$_3$Ln(BO$_3$)$_3$ (Ln = Dy-Lu). The crystal structure contains a quasi-two-dimensional (2D) triangular lattice…
Abstract Crystallography and dielectric properties in Dion–Jacobson layered perovskites, CsNdNb 2 O 7 and RbNdNb 2 O 7 , have been examined in dense polycrystalline samples, and polarization hysteresis loops that substantiate ferroelectricity have been observed at room temperature. The theoretical mechanism for the sp…
The universal tendency in scanning probe microscopy (SPM) over the last two decades is to transition from simple 2D imaging to complex detection and spectroscopic imaging modes. The emergence of complex SPM engines brings forth the challenge of reliable data interpretation, i.e., conversion from detected signals to de…
A helix of dipoles In magnetic materials, magnetic dipoles typically line up parallel or antiparallel to each other. However, more complex orderings, such as helical, can also occur. Khalyavin et al. found that in the material BiCu 0.1 Mn 6.9 O 12 , a helical order can be formed out of electric rather than magnetic di…
The creation of disordered hyperuniform materials with extraordinary optical properties (e.g., large complete photonic band gaps) requires a capacity to synthesize large samples that are effectively hyperuniform down to the nanoscale. Motivated by this challenge, we propose a feasible equilibrium fabrication protocol…
In recently developed non-fullerene acceptor (NFA) based organic solar cells (OSCs), both the donor and acceptor parts can be excited by absorbing light photons. Therefore, both the electron transfer and hole transfer channels could occur at the donor/acceptor interface for generating free charge carriers in NFA based…
Hydrogen can penetrate reversibly a number of metals, occupy the interstitial sites and cause large expansion of the crystal lattice. The question discussed here is whether the kinetics of the structural response matches hydrogen absorption. We show that thin Pd and CoPd films exposed to a relatively rich hydrogen atm…
Based on the first-principles calculations and theoretical analysis, we investigate the electronic structures, topological phase transition (TPT), and topological properties of the layered magnetic compound ${\mathrm{MnSb}}_{2}{\mathrm{Te}}_{4}$. We have synthesized a ${\mathrm{MnSb}}_{2}{\mathrm{Te}}_{4}$ sample and…
We present a study of the dielectric, structural, and magnetic properties of the multiferroic or linear magnetoelectric substitution series ${[{({\mathrm{NH}}_{4})}_{1\ensuremath{-}x}{\mathrm{K}}_{x}]}_{2}[\mathrm{Fe}{\mathrm{Cl}}_{5}({\mathrm{H}}_{2}\mathrm{O})]$. Pyroelectric currents, magnetic susceptibilities, and…
Using a multiscale computational approach, we probe the origin and evolution of ultraflat bands in moir\'e superlattices of twisted bilayer $\mathrm{Mo}{\mathrm{S}}_{2}$, a prototypical transition metal dichalcogenide. Unlike twisted bilayer graphene, we find no unique magic angles in twisted bilayer $\mathrm{Mo}{\mat…
We report the temperature and pressure (pmax ≃ 1.5 GPa) evolution of the crystal structure of the Weyl semimetal Td-MoTe2 by combination of neutron diffraction and the X-ray total scattering experiments. We find that the fundamental non-centrosymmetric structure Td is fully suppressed and transforms into a centrosymme…
Bismuth telluride is a widely explored material in the condensed matter community and one of the first experimentally identified as a topological insulator. Nevertheless, despite considerable effort, the bulk electronic band structure of Bi${}_{2}$Te${}_{3}$ is known only partially. Here, the authors present a magneto…
FeNi L10 (tetrataenite) phase has great perspectives for hard magnetic materials production. In this paper it was synthesized in chemically co-precipitated FeNi nanopowder by means of thermal treating included cycling of oxidation and reduction processes at 320 °C. The presence of FeNi L10 phase in the samples was con…
We fabricate AlGaN nanowires by molecular beam epitaxy and we investigate their field emission properties by means of an experimental setup using nano-manipulated tungsten tips as electrodes, inside a scanning electron microscope. The tip-shaped anode gives access to local properties and allows collecting electrons em…
Manganese dioxide (MnO2) nanosheets have shown exciting potential in nanomedicine because of their ultrathin thickness, large surface area, high near-infrared (NIR) absorbance and good biocompatibility. However, the effect of MnO2 nanosheets on bacteria is still unclear. In this study, MnO2 nanosheets were shown for t…