Twisted-light-induced optical transitions in semiconductors: Free-carrier quantum kinetics

We theoretically investigate the interband transitions and quantum kinetics induced by light carrying orbital angular momentum, or twisted light, in bulk semiconductors. We pose the problem in terms of the Heisenberg equations of motion of the electron populations, and inter- and intra-band coherences. Our theory extends the free-carrier Semiconductor Bloch Equations to the case of photo-excitation by twisted light. The theory is formulated using cylindrical coordinates, which are better suited to describe the interaction with twisted light than the usual cartesian coordinates used to study regular optical excitation. We solve the equations of motion in the low excitation regime, and obtain analytical expressions for the coherences and populations; with these, we calculate the orbital angular momentum transferred from the light to the electrons and the paramagnetic and diamagnetic electric current densities.Comment: 11 pages, 3 figure

Sub-monolayer nucleation and growth of complex oxide heterostructures at high supersaturation and rapid flux modulation

We report on the non-trivial nanoscale kinetics of the deposition of novel complex oxide heterostructures composed of a unit-cell thick correlated metal LaNiO3 and dielectric LaAlO3. The multilayers demonstrate exceptionally good crystallinity and surface morphology maintained over the large number of layers, as confirmed by AFM, RHEED, and synchrotron X-ray diffraction. To elucidate the physics behind the growth, the temperature of the substrate and the deposition rate were varied over a wide range and the results were treated in the framework of a two-layer model. These results are of fundamental importance for synthesis of new phases of complex oxide heterostructures.Comment: 13 pages, 6 figure

Low-Temperature Orientation Dependence of Step Stiffness on {111} Surfaces

For hexagonal nets, descriptive of {111} fcc surfaces, we derive from combinatoric arguments a simple, low-temperature formula for the orientation dependence of the surface step line tension and stiffness, as well as the leading correction, based on the Ising model with nearest-neighbor (NN) interactions. Our formula agrees well with experimental data for both Ag and Cu{111} surfaces, indicating that NN-interactions alone can account for the data in these cases (in contrast to results for Cu{001}). Experimentally significant corollaries of the low-temperature derivation show that the step line tension cannot be extracted from the stiffness and that with plausible assumptions the low-temperature stiffness should have 6-fold symmetry, in contrast to the 3-fold symmetry of the crystal shape. We examine Zia's exact implicit solution in detail, using numerical methods for general orientations and deriving many analytic results including explicit solutions in the two high-symmetry directions. From these exact results we rederive our simple result and explore subtle behavior near close-packed directions. To account for the 3-fold symmetry in a lattice gas model, we invoke a novel orientation-dependent trio interaction and examine its consequences.Comment: 11 pages, 8 figure

Graphite and graphene as perfect spin filters

Based upon the observations (i) that their in-plane lattice constants match almost perfectly and (ii) that their electronic structures overlap in reciprocal space for one spin direction only, we predict perfect spin filtering for interfaces between graphite and (111) fcc or (0001) hcp Ni or Co. The spin filtering is quite insensitive to roughness and disorder. The formation of a chemical bond between graphite and the open $d$-shell transition metals that might complicate or even prevent spin injection into a single graphene sheet can be simply prevented by dusting Ni or Co with one or a few monolayers of Cu while still preserving the ideal spin injection property

The Effects of Next-Nearest-Neighbor Interactions on the Orientation Dependence of Step Stiffness: Reconciling Theory with Experiment for Cu(001)

Within the solid-on-solid (SOS) approximation, we carry out a calculation of the orientational dependence of the step stiffness on a square lattice with nearest and next-nearest neighbor interactions. At low temperature our result reduces to a simple, transparent expression. The effect of the strongest trio (three-site, non pairwise) interaction can easily be incorporated by modifying the interpretation of the two pairwise energies. The work is motivated by a calculation based on nearest neighbors that underestimates the stiffness by a factor of 4 in directions away from close-packed directions, and a subsequent estimate of the stiffness in the two high-symmetry directions alone that suggested that inclusion of next-nearest-neighbor attractions could fully explain the discrepancy. As in these earlier papers, the discussion focuses on Cu(001).Comment: 8 pages, 3 figures, submitted to Phys. Rev.

Electroresistance effects in ferroelectric tunnel barriers

Electron transport through fully depleted ferroelectric tunnel barriers sandwiched between two metal electrodes and its dependence on ferroelectric polarization direction are investigated. The model assumes a polarization direction dependent ferroelectric barrier. The transport mechanisms, including direct tunneling, Fowler-Nordheim tunneling and thermionic injection, are considered in the calculation of the electroresistance as a function of ferroelectric barrier properties, given by the properties of the ferroelectric, the barrier thickness, and the metal properties, and in turn of the polarization direction. Large electroresistance is favored in thicker films for all three transport mechanisms but on the expense of current density. However, switching between two transport mechanisms, i.e., direct tunneling and Fowler-Nordheim tunneling, by polarization switching yields a large electroresistance. Furthermore, the most versatile playground in optimizing the device performance was found to be the electrode properties, especially screening length and band offset with the ferroelectric.Comment: 24pages, 7 figures, revised, one figure adde

Variable Curvature Slab Molecular Dynamics as a Method to Determine Surface Stress

A thin plate or slab, prepared so that opposite faces have different surface stresses, will bend as a result of the stress difference. We have developed a classical molecular dynamics (MD) formulation where (similar in spirit to constant-pressure MD) the curvature of the slab enters as an additional dynamical degree of freedom. The equations of motion of the atoms have been modified according to a variable metric, and an additional equation of motion for the curvature is introduced. We demonstrate the method to Au surfaces, both clean and covered with Pb adsorbates, using many-body glue potentials. Applications to stepped surfaces, deconstruction and other surface phenomena are under study.Comment: 16 pages, 8 figures, REVTeX, submitted to Physical Review

Dissipative dynamics of superconducting hybrid qubit systems

We perform a theoretical study of composite superconducting qubit systems for the case of a coupled qubit configuration based on a hybrid qubit circuit made of both charge and phase qubits, which are coupled via a sigma(x)xsigma(z) interaction. We compute the system's eigen-energies in terms of the qubit transition frequencies and the strength of the inter-qubit coupling, and describe the sensitivity of the energy crossing/anti-crossing features to such coupling. We compute the hybrid system's dissipative dynamics for the cases of i) collective and ii) independent decoherence, whereby the system interacts with one common and two different baths of harmonic oscillators, respectively. The calculations have been performed within the Bloch-Redfield formalism and we report the solutions for the populations and the coherences of the system's reduced density matrix. The dephasing and relaxation rates are explicitly calculated as a function of the heat bath temperature.Comment: To appear in J. Phys.: Conf. Series (2009

Stability and enzymatic studies with omeprazole: hydroxypropyl-β-cyclodextrin

The original publication is available at www.springerlink.com. A publicação original está disponível em www.springerlink.comOmeprazole (OME) exhibits low stability to light, heat and humidity. In stress conditions OME stability should improve under inclusion complex form with hydroxypropyl-b-cyclodextrin (HPbCD). Stability of OME, its physical mixture (PM) with HPbCD and OME:HPbCD inclusion complex was assessed during 60 days. The inclusion complexes were prepared by kneading and freezedrying techniques and characterized by differential scanning calorimetry (DSC) and Fourier transform infrared spectroscopy (FTIR). A molecular modelling was also held to predict the most probable tridimensional conformation of inclusion complex OME:HPbCD. The inhibitory activity of free and complexed OME on selected enzymes, namely, papain (protease model of the proton pump) and acetylcholinesterase (enzyme present in cholinergic neurons and also involved in Alzheimer’s disease) was compared. The results obtained show that HPbCD do not protect against OME degradation, in any prepared powder, in the presence of light, heat and humidity. This may indicate that the reactive group of OME is not included in the HPbCD cavity. This fact is supported by molecular modelling data, which demonstrated that 2-pyridylmethyl group of OME is not included into the cyclodextrin cavity. In relation to enzymatic assays it was observed that free OME and OME in the binary systems showed identical inhibitory activity on papain and acethylcolinesterase, concluding that HPbCD do not affect OME activity on these two enzymes

Geometry and quantum delocalization of interstitial oxygen in silicon

The problem of the geometry of interstitial oxygen in silicon is settled by proper consideration of the quantum delocalization of the oxygen atom around the bond-center position. The calculated infrared absorption spectrum accounts for the 517 and 1136 cm$^{-1}$ bands in their position, character, and isotope shifts. The asymmetric lineshape of the 517 cm$^{-1}$ peak is also well reproduced. A new, non-infrared-active, symmetric-stretching mode is found at 596 cm$^{-1}$. First-principles calculations are presented supporting the nontrivial quantum delocalization of the oxygen atom.Comment: uuencoded, compressed postscript file for the whole. 4 pages (figures included), accepted in PR