Materials Literature
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We used atomistic simulations to study the origin of the change of resistance over time in the amorphous phase of GeTe, a prototypical phase-change material (PCM). Understanding the cause of resistance drift is one of the biggest challenges to improve multilevel storage technology. For this purpose, we generated amorp…
The Ca 2+ and Ba 2+ solubility on Nd 3+ sites in new layered perovskite NdBaInO 4 mixed oxide ionic and hole conductor and their effect on the oxide ion conductivity of NdBaInO 4 were investigated. Among the alkaline earth metal cations Ca 2+, Sr 2+, and Ba 2+, Ca 2+ was shown to be the optimum acceptor–dopant for Nd…
Manganese ferrite (MnFe2O4) magnetic nanoparticles were successfully prepared by a sol-gel self-combustion technique using iron nitrate and manganese nitrate, followed by calcination at 150 °C for 24 h. Calcined sample was systematically characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy…
Cerium oxide (CeO 2 ) decorated nanocrystalline zeolite (Nano-ZSM-5) nanocomposites with different weight ratios were prepared by the calcination of a physical mixture of nanocrystalline CeO 2 and Nano-ZSM-5. Materials were characterized by the complementary combination of X-ray diffraction, N 2 -adsorption, transmiss…
This review provides an up to date survey of a singular class of iron(II) spin crossover (SCO) molecular materials that undergo high-spin (HS) ↔ low-spin (LS) phase transitions accompanied by crystallographic symmetry breaking (CSB). Particular interest has been focused on a variety of complexes that exhibit one-step…
Naturally occurring porphyrins and hydroporphyrins vary with respect to their ring substituents and oxidation states, but their tetrapyrrolic frameworks remain fully preserved across all kingdoms of life; there are no naturally occurring porphyrin-like macrocycles known that contain nonpyrrolic building blocks. Howeve…
Large-area monolayer fluorinated graphene (FG) is synthesized by a controllable SF6 plasma treatment. The functional groups of FG are elucidated by various spectroscopies, including Raman spectroscopy, X-ray photoemission spectroscopy (XPS), and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Raman re…
An obstacle encountered in applying orthogonal-polynomials fitting is how to select out the proper fitting expression. By adding a Laplace term to the error expression and introducing the concept of overfitting degree, a regularization and corresponding cross validation scheme is proposed for two-variable polynomials…
The photovoltaic characteristics of an ultra-thin GaAs solar cell with gold back reflector are simulated using the standard semi-classical drift-diffusion-Poisson model and an advanced microscopic quantum-kinetic approach based on the nonequilibrium Green's function (NEGF) formalism. For the standard assumption of fla…
Surface-assisted polymerization of molecular monomers into extended chains can be used as the seed of graphene nanoribbon (GNR) formation, resulting from a subsequent cyclo-dehydrogenation process. By means of valence-band photoemission and ab initio density-functional theory (DFT) calculations, we investigate the evo…
Separating the influence of hyperfine from spin-orbit interactions in spin-dependent carrier recombination and dissociation processes necessitates magnetic resonance spectroscopy over a wide range of frequencies. We have designed compact and versatile coplanar waveguide resonators for continuous-wave electrically dete…
We calculate the dynamic polarizability under the random phase approximation for the dice lattice. This two-dimensional system gives rise to massless Dirac fermions with pseudospin-1 in the low-energy quantum excitation spectrum, providing a Dirac-cone plus flat-band dispersion. Due to the presence of the flat band, t…
In the present work, we study morphologies arising due to competing substrate interaction, electric field, and confinement effects on a symmetric diblock copolymer. We employ a coarse-grained nonlocal Cahn-Hilliard phenomenological model taking into account the appropriate contributions of substrate interaction and el…
Recent experimental results suggest that metallic liquids universally exhibit a high-temperature dynamical crossover, which is correlated with the glass transition temperature (). We demonstrate, using molecular dynamics results for , that this temperature, , is linked with cooperative atomic rearrangements that produ…
The simplest way to obtain thin carbon layers is to draw or rub with a graphite rod. During rubbing, forces of friction acting in graphite/substrate tribological system cause drastic changes in the structure of the interface stratum developing thereby stable self-organized and ordered thin structure. We present a pion…
Quantum critical behavior has been associated with some of the most exotic emergent states of matter including high-temperature superconductivity. Much of the research into quantum critical point (QCP) physics has been hampered by the lack of model systems simple enough to be analyzed by theory. Here, we show that the…
Stokes and anti-Stokes Raman scattering are performed on atomic layers of hexagonal molybdenum ditelluride (MoTe2), a prototypical transition metal dichalcogenide (TMDC) semiconductor. The data reveal all six types of zone center optical phonons, along with their corresponding Davydov splittings, which have been chall…
It is shown, for the first time, that negative refraction with positive phase velocity refraction can be realized (and controlled) over a wide range of frequency on the first (lowest) pass band of simple photonic and phononic crystals. First a unified approach is presented to accurately, efficiently, and uniquely prod…
In this paper, we present a thorough stress analysis of the Cu-Zr metallic-glass composite with embedded B2 particles subject to a martensitic transformation. Within the framework of the Eshelby theory, we are able to explain, in a quantitative manner, (1) the formation of three types of shear bands with distinct morp…
This work investigates the hydrogen evolution process on magnesium by real time imaging of the corroding surface at the free corrosion potential and during potentiodynamic polarization in alkaline and neutral environments, in the presence and absence of chloride ions. High-magnification imaging of the corrosion proces…