Spin-dependent tunneling characteristics in Fe/MgO/Fe trilayers: First-principles calculations

Spin-dependent transport properties are investigated in a single-crystal magnetic tunnel junction (MTJ) which consists of two Fe electrodes separated by an MgO insulating barrier. Our calculations are based on the first-principle density functional theory including the metal–oxide interface. Modifications are observed in the electronic and magnetic structure of the interface as a result of oxidation. Spin polarizations (SPs) more than 80% and ?86% are obtained at zero temperature for clean interfaces in the parallel and anti-parallel alignments of the ferromagnetic electrodes, respectively, when a 7 monolayer MgO is used as the barrier. In the parallel alignment, the zero-bias SP is observed to be positive throughout the barrier reaching to a maximum at the central point. On the other hand, in the anti-parallel alignment, the SP of the electrodes is seen to penetrate deep into the barrier. The effects of interface oxidation on the band structure of the electrode surfaces are simulated using the fixed-spin-moment calculations. Also, we study dependence of the tunneling magnetoresistance on the barrier thickness and applied voltage in the trilayer within the effective mass approximation. It is shown that the TMR ratio decreases rapidly with increasing the barrier thickness and applied voltage. Our calculations explain qualitatively the main features of the recent experimental observations. Our results may be useful for the development of spintronic devices.     

Chemical constituents of the essential oil from aerial parts and fruit of Anisosciadium orientale

The essential oils from aerial parts and fruits of Anisosciadium orientale DC. growing wild in Iran were obtained by hydrodistillation and analyzed by GC and GC/MS. Seventy-one compounds were identified in the fruit oil and fifteen in the oil from the aerial parts. The main oil components of the fruits and aerial parts were myristicin (33.5%-33.7%), alpha-terpinolene (22%-25.8%) and limonene (19.5%-19.7%). Some compounds, such as geranyl butyrate and germacrene-D, were only detected in the fruit oil.     

Carryover sequence-dependent group scheduling with the integration of internal and external setup times

This paper addresses a group scheduling problem in a two-machine flow shop with a bicriteria objective and carryover sequence-dependent setup times. This special type of group scheduling problem typically arises in the assembly of printed circuit boards (PCBs). The objective is to sequence all board types in a board group as well as board groups themselves in a way that the objective function is minimized. We introduce the carryover sequence-dependent setup on machines, and call it internal setup. As an opportunity for manufacturers to decrease the costs, the focus is to completely eliminate the role of the kitting staff. Thus, we introduce the external setup (kitting) time for the next board group and require it to be performed by the machine operator during the time he is idle. Consequently, the internal and external setup times are integrated in this research, and to the best of our knowledge it is for the first time a research on PCB group scheduling is performed by integrating both setups. In order to solve this problem, first a mathematical model is developed. Then a heuristic together with two other meta-heuristic algorithms (one based on tabu search and the other based on genetic algorithm) are proposed and their efficiency and effectiveness on several problems are tested. Also a statistical experimental design is performed in order to evaluate the impact of different factors on the performance of the algorithms.     

Exact travelling wave solutions for the generalized nonlinear Schrödinger (GNLS) equation with a source by Extended tanh–coth, sine–cosine and Exp-Function methods

The capability of Extended tanh–coth, sine–cosine and Exp-Function methods as alternative approaches to obtain the analytic solution of different types of applied differential equations in engineering mathematics has been revealed. In this study, the generalized nonlinear Schrödinger (GNLS) equation is solved by three different methods. To obtain the single-soliton solutions for the equation, the Extended tanh–coth and sine–cosine methods are used. Furthermore, for this nonlinear evolution equation the Exp-Function method is applied to derive various travelling wave solution. Results show that while the first two procedures easily provide a concise solution, the Exp-Function method provides a powerful mathematical means for solving nonlinear evolution equations in mathematical physics.     

The design,synthesis and characterisation of channel-forming peptides

Synthetic peptides designed using criteria derived from statistical analyses of beta-barrel membrane proteins form channels in synthetic membranes at very low peptide:lipid ratios.     

Using the Steepened Plasma Profile and Wave Breaking Threshold in Laser‐Plasma Interaction

In this work we evaluate the interaction of high intense laser beam with a steepened density profile. During laser interaction with underdense plasma by freely expanding plasma regime, modification of density profile is possible. In this paper we have investigated the ultra short laser pulse interaction with nonisothermal and collisionless plasma. We consider self–focusing as an effective nonlinear phenomenon that tends to increase when the laser power is more than critical rate. By leading the expanded plasma to a preferred location near to critical density, laser reflection is obtained, so the density profile will be locally steepened. The electromagnetic fields are evaluated in this new profile. We show the amplitude and period of electrical field oscillation are increased by reducing the steepened scale length. Also our numerical results identify that by reducing the steepened scale length, the electrical field is increased to wave breaking threshold limit. This high gradient electrical field causes the effective beam loading during the wave breaking phenomenon. The wave breaking can be the initial point for other acceleration regime as cavity or channel guiding regime. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

A Comparative Study of the Electronic and Magnetic Properties of Gd5Ge4 and Gd5Si4 Compounds

We present a comparative study of electronic structure and magnetic properties of Gd₅Si₄ and Gd₅Ge₄ compounds using first principles full potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT) using the WIEN2k code. The local-spin density approximation with correlation energy (LSDA+U) method has been used as the exchange-correlation potential. The optimized lattice constants are in good agreement with the experimental data. The total and partial density of states (DOS) of Gd₅Si₄ and Gd₅Ge₄ show the difference in Si 3p-Gd 5d and Ge 4p-Gd 5d hybridization, which have an effective role in indirect exchange interaction. In addition, the magnetic moments of Gd, Si, and Ge atoms and the compounds are calculated to clarify the differences in the magnetic properties of these compounds.     

Beta-carotene/cyclodextrin-based inclusion complex: improved loading,solubility, stability,and cytotoxicity

Journal of Inclusion Phenomena and Macrocyclic Chemistry - Beta-carotene (BC) is a vitamin A precursor and has potential anticancer benefits, but the delivery of BC is hindered by its low...     

Highly efficient and chemoselective acetalization of carbonyl compounds catalyzed by new and reusable zirconyl triflate,ZrO(OTf)2

Various types of aromatic aldehydes were efficiently converted to their corresponding 1,3‐dioxanes and 1,3‐dioxolane with 1,3‐propanediol and ethylene glycol, respectively, in the presence of catalytic amount of ZrO(OTf)₂ in acetonitrile at room temperature. The catalyst can be reused several times without loss of its catalytic activity. Very short reaction times, selective acetalization of aromatic aldehydes in the presence of aliphatic aldehydes and ketones, very mild reaction conditions, reusability of the catalyst, and easy workup are noteworthy advantages of this method. © 2009 Wiley Periodicals, Inc. Heteroatom Chem 20:131–135, 2009; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20523