Materials Literature
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The optimal Co concentration in Fe$_{1-x}$Co$_{x}$/MgO magnetic tunnel junctions (MTJs) that maximizes tunneling magnetoresistance (TMR) is still under investigation. We perform a first-principles transport study on MTJs using disordered electrodes modeled using the virtual crystal approximation (VCA) and ordered allo…
We study the effect of the sample thickness in planar crack front propagation in a disordered elastic medium using the random fuse model. We employ different loading conditions and we test their stability with respect to crack growth. We show that the thickness induces characteristic lengths in the stress enhancement…
This paper investigates some of the successes and failures of density functional theory in the study of high-pressure solid hydrogen at low temperature. We calculate the phase diagram, metallization pressure, phonon spectrum, and proton zero-point energy using three popular exchange-correlation functionals: the local…
BiTeI exhibits large Rashba spin splitting due to its noncentrosymmetric crystal structure. The study of chemical doping effect is important in order to either tune the Fermi level or refine the crystal quality. Here, we report the magneto-transport measurement in high quality BiTeI single crystals with different copp…
We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground state phase diagram of solid molecular hydrogen and examine the stability of the most important insulating phases relative to metallic crystalline molecular hydrogen. We develop a new method to account for finite-size errors by combining the…
The failure of frictional interfaces and the spatiotemporal structures that accompany it are central to a wide range of geophysical, physical and engineering systems. Recent geophysical and laboratory observations indicated that interfacial failure can be mediated by slow slip rupture phenomena which are distinct from…
The discovery of superconductivity in Magnesium Diborate (MgB$_2$) has stimulated great interest in the search of new superconductors with similar lattice structures. Unlike cuprate or iron-based superconductors, MgB$_2$ is indisputably a phonon-mediated high temperature superconductor. The emergence of high temperatu…
First-principles simulations have been performed to investigate the phase stability of tantalum metal under high pressure and high temperature (HPHT). We searched its low-energy structures globally using our developed multi-algorithm collaborative (MAC) crystal structure prediction technique. The body-centred cubic (b…
The gap between cell and module efficiency is a major challenge for all photovoltaic (PV) technologies. For monolithic thin film PV modules, a significant fraction of this gap has been attributed to parasitic shunts, and other defects, distributed across the module. In this paper, we show that it is possible to contai…
We study momentum and energy propagation in 1D tapered chains of spherical granules which interact according to a Hertz potential. In this work we apply the binary collision approximation, which is based on the assumption that transfer of energy along the chain occurs via a succession of two-particle collisions. Altho…
This study introduces the principles of a new class of batteries, rechargeable molten air batteries, and several battery chemistry examples are demonstrated. The new battery class uses a molten electrolyte, are quasi reversible, and have amongst the highest intrinsic battery electric energy storage capacities. Three e…
The recently discovered oxypnictide superconductor SmFeAs(O,F) is the most attractive material among the Fe-based superconductors due to its highest transition temperature of 56 K and potential for high-field performance. In order to exploit this new material for superconducting applications, the knowledge and underst…
Controlling the electronic properties of interfaces has enormous scientific and technological implications and has been recently extended from semiconductors to complex oxides which host emergent ground states not present in the parent materials. These oxide interfaces present a fundamentally new opportunity where, in…
Polyelectrolyte multilayer (PEM) capsules are carrier vehicles with great potential for biomedical applications. With the future aim of designing biocompatible, effective therapeutic delivery systems (e.g., for cancer), the pathway of internalization (uptake and fate) of PEM capsules was investigated. In particular th…
The adsorption of aluminum by biochars produced at different temperatures from rice straw (RS) and cattle manure (CM) was studied to determine the dual roles of biochar for aluminum adsorption. The compositional structures and surface charges of the biochars and ashes with and without Al loading were analyzed by Fouri…
High-performance all-solid-state supercapacitors (SCs) are fabricated based on thin, lightweight, and flexible freestanding MVNN/CNT hybrid electrodes. The device shows a high volume capacitance of 7.9 F/cm(3) , volume energy and power density of 0.54 mWh/cm(3) and 0.4 W/cm(3) at a current density of 0.025 A/cm(3) . B…
Ultrafine‐grained AA1050 sheets have been produced by accumulative roll bonding (ARB). Two ARB processes have been compared in this study, one with preheating and the other without. In the preheated process the specimens were heated at 250°C for 3 minutes before ARB rolling. The microstructures of the ARB specimens we…
Presented are the results of an investigation of colossal magnetoresistance relaxation in nanostructured La-Sr-Mn-O films after the removal of the magnetic field pulse. 400-nm thick films grown by the metal-organic chemical vapor deposition technique are studied in the magnetic field range of 2-10 T and a temperature…
Introduction of intra bandgap state in semiconductor nanocrystals provides an efficient way to control the separation or recombination of charge carriers and enhances their applicability for light emitting, harvesting, and sensing purposes. This manuscript presents the conversion of ternary CIZS nanocrystals to doped…
Planar waveguides made of Nd3+-doped silicon rich silicon oxide (SRSO) and silicon rich silicon nitride (SRSN) have been fabricated by reactive magnetron sputtering and characterized with special emphasis on the comparison of the guided photoluminescence (PL) properties of these two matrices. Guided fluorescence excit…