Dependence of Spin-orbit Parameters in Al_xGa_(1-x)N/GaN Quantum Wells on the Al Composition of the Barrier

In this paper, we obtain considerable spin-orbit (SO) parameters in AlxGa1-xN/GaN quantum wells (QWs) with sheet carrier concentration Ns=120×1011/cm2 . With increasing Al content (x) of the barrier, the SO parameters increase as a whole, and the two major contributions are found to be the decrease of the expansion region of the envelope functions and the increase of the polarized electric field in the well. Compared with the Rashba parameters for the first two subbands, the intersubband SO parameter is a bit smaller and varies more slowly with x. The results indicate the SO parameters, especially the Rashba parameters can be engineered by the Al composition of the barrier, which may be helpful to the spin manipulation of III-nitride low-dimensional heterostructures.     

Half-Integer Spin Triangles: Old Dogs,New Tricks

Spin triangles, that is, triangular complexes of half-integer spins, are the oldest molecular nanomagnets (MNMs). Their magnetic properties have been studied long before molecular magnetism was delineated as a research field. This Review presents the history of their study, with references to the parallel development of new experimental investigations and new theoretical ideas used for their interpretation. It then presents an indicative list of spin-triangle families to illustrate their chemical diversity. Finally, it makes reference to recent developments in terms of theoretical ideas and new phenomena, as well as to the relevance of spin triangles to spintronic devices and new physics.     

Stroboscopic microscopy—direct imaging of structure development and phase separation during spin‐coating

Spin‐coated polymer blends possess a rich variety of accessible non‐equilibrium morphologies, formed through a process of phase separation and self‐assembly, the complexities of which remain incompletely understood. The technique of stroboscopic microscopy has now been developed to allow direct observations of microscopic and mesoscopic morphological development during spin‐coating and has afforded unequivocal information regarding morphological development. The technique so far has three modes of operation providing information on topographical, compositional, and crystal development. In this review, we look at the technique's development, its applications and comment on the future potential for this technique. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 17–25     

Irradiation of detonation nanodiamonds with γ-rays does not produce long living spin radicals

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Structural studies and quantum chemical calculations of Cr(III), Fe(III) and Ru(III) bromazepam complexes

The reaction of bromazepam (7‐bromo‐1,3‐dihydro‐5‐(2‐pyridyl)‐2H ‐1,4‐benzodiazepin‐2‐one, BZM) with Cr(III) ( 1 ), Fe(III) ( 2 ) and Ru(III) ( 3 ) salts gives complexes of the type [M(BZM)₃]⋅3X (X = Cl or NO₃). Structural characterization was extensively carried out using various analytical and spectral tools such as infrared, ¹H NMR and UV–visible spectroscopies and magnetic, conductance, elemental and thermal analyses. BZM is a bidentate ligand and interacts with the metal ions via the pyridine and benzodiazepin‐2‐one nitrogen atoms. The magnetic and electronic properties of 2 and 3 are consistent with low‐spin octahedral complexes. The three BZM molecules are non‐isoenergetically coordinated to the metal ions and this is reflected in the values of the second‐order interaction energy. The antibacterial activity was studied using Staphylococcus aureus and Escherichia coli . Coordination of BZM to Cr(III) or Ru(III) ions leads to a marked increase in toxicity with respect to the inactive Fe(III) complex 2 .     

Magnetization switching modes in nanopillar spin valve under the external field

The current-induced magnetic switching is studied in Co/Cu/Co nanopillar with an in-plane magnetization traversed under the perpendicular-to-plane external field.Magnetization switching is found to take place when the current density exceeds a threshold.By analyzing precessional trajectories,evolutions of domain walls and magnetization switching times under the perpendicular magnetic field,there are two different magnetization switching modes:nucleation and domain wall motion reversal;uniform magnetization ...     

Full four‐component relativistic calculations of the one‐bond 77Se–13C spin‐spin coupling constants in the series of selenium heterocycles and their parent open‐chain selenides

Four‐component relativistic calculations of ⁷⁷Se–¹³C spin–spin coupling constants have been performed in the series of selenium heterocycles and their parent open‐chain selenides. It has been found that relativistic effects play an essential role in the selenium–carbon coupling mechanism and could result in a contribution of as much as 15–25% of the total values of the one‐bond selenium–carbon spin‐spin coupling constants. In the overall contribution of the relativistic effects to the total values of ¹J(Se,C), the scalar relativistic corrections (negative in sign) by far dominate over the spin‐orbit ones (positive in sign), the latter being of less than 5%, as compared to the former (ca 20%). A combination of nonrelativistic second‐order polarization propagator approach (CC2) with the four‐component relativistic density functional theory scheme is recommended as a versatile tool for the calculation of ¹J(Se,C). Solvent effects in the values of ¹J(Se,C) calculated within the polarizable continuum model for the solvents with different dielectric constants (ε 2.2–78.4) are next to negligible decreasing negative ¹J(Se,C) in absolute value by only about 1 Hz. The use of the locally dense basis set approach applied herewith for the calculation of ⁷⁷Se–¹³C spin‐spin coupling constants is fully justified resulting in a dramatic decrease in computational cost with only 0.1–0.2‐Hz loss of accuracy. Copyright © 2014 John Wiley & Sons, Ltd.     

Light‐Driven Coordination‐Induced Spin‐State Switching: Rational Design of Photodissociable Ligands

The bistability of spin states (e.g., spin crossover) in bulk materials is well investigated and understood. We recently extended spin‐state switching to isolated molecules at room temperature (light‐driven coordination‐induced spin‐state switching, or LD‐CISSS). Whereas bistability and hysteresis in conventional spin‐crossover materials are caused by cooperative effects in the crystal lattice, spin switching in LD‐CISSS is achieved by reversibly changing the coordination number of a metal complex by means of a photochromic ligand that binds in one configuration but dissociates in the other form. We present mathematical proof that the maximum efficiency in property switching by such a photodissociable ligand (PDL) is only dependent on the ratio of the association constants of both configurations. Rational design by using DFT calculations was applied to develop a photoswitchable ligand with a high switching efficiency. The starting point was a nickel–porphyrin as the transition‐metal complex and 3‐phenylazopyridine as the photodissociable ligand. Calculations and experiments were performed in two iterative steps to find a substitution pattern at the phenylazopyridine ligand that provided optimum performance. Following this strategy, we synthesized an improved photodissociable ligand that binds to the Ni–porphyrin with an association constant that is 5.36 times higher in its trans form than in the cis form. The switching efficiency between the diamagnetic and paramagnetic state is efficient as well (72 % paramagnetic Ni–porphyrin after irradiation at 365 nm, 32 % paramagnetic species after irradiation at 440 nm). Potential applications arise from the fact that the LD‐CISSS approach for the first time allows reversible switching of the magnetic susceptibility of a homogeneous solution. Photoswitchable contrast agents for magnetic resonance imaging and light‐controlled magnetic levitation are conceivable applications.