The split-operator technique for the study of spinorial wavepacket dynamics

The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagating wave functions describing Schr\"odinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene.Comment: 19 pages, 4 figure

Wavepacket scattering on graphene edges in the presence of a (pseudo) magnetic field

The scattering of a Gaussian wavepacket in armchair and zigzag graphene edges is theoretically investigated by numerically solving the time dependent Schr\"odinger equation for the tight-binding model Hamiltonian. Our theory allows to investigate scattering in reciprocal space, and depending on the type of graphene edge we observe scattering within the same valley, or between different valleys. In the presence of an external magnetic field, the well know skipping orbits are observed. However, our results demonstrate that in the case of a pseudo-magnetic field, induced by non-uniform strain, the scattering by an armchair edge results in a non-propagating edge state.Comment: 8 pages, 7 figure

Lattice Energies from Hydration Enthalpies: Some acid-base and Structural Considerations

In the present work, using reference values for the hydration enthalpies for a series of mono, di, tri and tetra cations, as well as reference values for the lattice energies of a series of nono, di, tri and tetrahalides, it is shown that reliable lattice energies for such halides can be calculated by UPOT = (ΔHhyd+ + ΔHhyd-), by UPOT = (ΔHhyd+ + 2ΔHhyd-), by UPOT = (ΔHhyd+ + 3ΔHhyd-) or by UPOT = (ΔHhyd+ + 4ΔHhyd-) for mono, di, tri and tetrahalides, respectively. Linearized improved versions of such simply equations, parametrized in order to take into account factors such as dilution and entropic contributions, were also obtained. Lattice energies for a series of halides and other salts are calculated by using the obtained empirical equations, providing results in very good agreement with literature reference values. Furthermore, a series of empirical equations were derived, relating several acid-base parameters with lattice energy. It is shown that the cation and anion volumes (obtained by X-ray data), are very closely related with the cation and anion absolute hardness, that is, are very closely relates with the frontier (HOMO and LUMO) orbitals energies

All-strain based valley filter in graphene nanoribbons using snake states

A pseudo-magnetic field kink can be realized along a graphene nanoribbon using strain engineering. Electron transport along this kink is governed by snake states that are characterized by a single propagation direction. Those pseudo-magnetic fields point towards opposite directions in the K and K' valleys, leading to valley polarized snake states. In a graphene nanoribbon with armchair edges this effect results in a valley filter that is based only on strain engineering. We discuss how to maximize this valley filtering by adjusting the parameters that define the stress distribution along the graphene ribbon.Comment: 8 pages, 6 figure

Parametrização de um modelo para estimativa da produtividade de soja para as regiões sul e centro-oeste do Brasil.

A produtividade de qualquer cultivo agrícola é resultado da interação genótipo e ambiente. No Brasil, cerca de 95% das indenizações pagas pelos instrumentos públicos de seguridade agrícola do Brasil estão relacionados à seca ou aos eventos de à chuva em excesso, mostrando sua importância. Na cultura de soja há dois períodos críticos no caso de déficit hídrico: da semeadura à emergência e no enchimento dos grãos. Em se tratando de um país como o Brasil cuja dimensão é continental e o cultivo de soja é nacional, a utilização de modelos que permitam obter estimativas confiáveis, rápidas e que necessitem de poucos dados operacionais são essenciais para seu gerenciamento. Usando o Modelo da Zona Agroecológica (MZA) foi feita a estimativa da produtividade de soja, a fim de se utilizar dados de fácil obtenção e que permitissem sua utilização em diversas localidades. O modelo foi avaliado para as condições das regiões Sul e Centro-Oeste entre as safras entre 2002 a 2006. Comparou-se as estimativas com os dados experimentais, verificando-se o bom desempenho do método para as regiões estudadas, com R²=0,54 numa análise global, mas com R²=0,97 para Dourados (MS) e R²=0,70 para Londrina (PR).CBA 2009

Out-of-phase oscillation between superfluid and thermal components for a trapped Bose condensate under oscillatory excitation

The vortex nucleation and the emergence of quantum turbulence induced by oscillating magnetic fields, introduced by Henn E A L, et al. 2009 (Phys. Rev. A 79, 043619) and Henn E A L, et al. 2009 (Phys. Rev. Lett. 103, 045301), left a few open questions concerning the basic mechanisms causing those interesting phenomena. Here, we report the experimental observation of the slosh dynamics of a magnetically trapped $^{87}$Rb Bose-Einstein condensate (BEC) under the influence of a time-varying magnetic field. We observed a clear relative displacement in between the condensed and the thermal fraction center-of-mass. We have identified this relative counter move as an out-of-phase oscillation mode, which is able to produce ripples on the condensed/thermal fractions interface. The out-of-phase mode can be included as a possible mechanism involved in the vortex nucleation and further evolution when excited by time dependent magnetic fields.Comment: 5 pages, 5 figures, 25 reference

Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel

Diffusive properties of a monodisperse system of interacting particles confined to a \textit{quasi}-one-dimensional (Q1D) channel are studied using molecular dynamics (MD) simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion (SFD) to the two-dimensional diffusion regime is investigated. This transition (regarding the calculation of the scaling exponent ($\alpha$) of the MSD $$ $\propto t^{\alpha}$) as a function of the width of the channel, is shown to change depending on the channel's confinement profile. In particular the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp/stepwise (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.Comment: 13 pages, 11 figure