Optical characterization of cubic AlGaN/GaN quantum wells

Cubic phase group III-nitrides were grown using RF plasma assisted Molecular Beam Epitaxy on GaAs (001) substrates. High-resolution X-ray diffraction, photoluminescence, cathodoluminescence and photoreflectance measurements were employed to characterize the structural and optical properties of GaN/AlxGa1-xN Multi Quantum Well (MQW) structures, in which both Aluminum content and well widths were varied. The observed quantized states are in agreement with first-principles based theoretical calculations.

PATH-ORDERED PHASE-FACTORS IN SCALAR QUANTUM ELECTRODYNAMICS

Starting from linear equations for the complex scalar field, the two- and three-point Green's functions are obtained in the infrared approximation. We show that the infrared singularity factorizes in the vertex function as in spinor QED, reproducing in a simple and straightforward way the result of lengthy perturbative calculations.

Magnetic-field and confinement effects on the effective Land, g factor in AlxGa1-xAs parabolic quantum wells

The magnetic-field and confinement effects on the Land, factor in AlxGa1-xAs parabolic quantum wells under magnetic fields applied parallel or perpendicular to the growth direction are theoretically studied. Calculations are performed in the limit of low temperatures and low electron density in the heterostructure. The g factor is obtained by taking into account the effects of non-parabolicity and anisotropy of the conduction band through the 2 x 2 Ogg-McCombe Hamiltonian, and by including the cubic Dresselhaus spin-orbit term. A simple formula describing the magnetic-field dependence of the effective Land, factor is analytically derived by using the Rayleigh-Schrodinger perturbation theory, and it is found in good agreement with previous experimental studies devoted to understand the behavior of the g factor, as a function of an applied magnetic field, in semiconductor heterostructures. Present numerical results for the effective Land, factor are shown as functions of the quantum-well parameters and magnetic-field strength, and compared with available experimental measurements.

Structural deformation monitored by vibrational properties and orbital modeling in (Pb,Sm)TiO3 systems

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Quantum chemical modeling of perovskite: An investigation of piezoelectricity in ferrite of yttrium

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Quantum vacuum in hot nuclear matter: A non-perturbative treatment

We derive the equation of state for hot nuclear matter using the Walecka model in a non-perturbative formalism. We include here the vacuum polarization effects arising from the nucleon and scalar mesons through a realignment of the vacuum. A ground state structure with baryon-antibaryon condensates yields the results obtained through the relativistic Hartree approximation of summing baryonic tadpole diagrams. Generalization of such a state to include the quantum effects for the scalar meson fields through the σ -meson condensates amounts to summing over a class of multiloop diagrams. The techniques of the thermofield dynamics method are used for the finite-temperature and finite-density calculations. The in-medium nucleon and sigma meson masses are also calculated in a self-consistent manner. We examine the liquid-gas phase transition at low temperatures (≈ 20 MeV), as well as apply the formalism to high temperatures to examine a possible chiral symmetry restoration phase transition.

Conflict between the classical equivalence principle and quantum mechanics

As far as external gravitational fields described by Newton's theory are concerned, theory shows that there is an unavoidable conflict between the universality of free fall (Galileo's equivalence principle) and quantum mechanics - a result confirmed by experiment. Is this conflict due perhaps to the use of Newton's gravity, instead of general relativity, in the analysis of the external gravitational field? The response is negative. To show this we compute the low corrections to the cross-section for the scattering of different quantum particles by an external gravitational field, treated as an external field, in the framework of Einstein's linearized gravity. To first order the cross-sections are spin-dependent; if the calculations are pushed to the next order they become dependent upon energy as well. Therefore, the Galileo's equivalence and, consequently, the classical equivalence principle, is violated in both cases. We address these issues here.

Eliminating ambiguities for quantum corrections to strings moving in AdS4×CP3

We apply a physical principle, previously used to eliminate ambiguities in quantum corrections to the two-dimensional kink, to the case of spinning strings moving in AdS4×CP3, thought of as another kind of two-dimensional soliton. We find that this eliminates the ambiguities and selects the result compatible with AdS/CFT, providing a solid foundation for one of the previous calculations, which found agreement. The method can be applied to other classical string «solitons.» © 2013 World Scientific Publishing Company.

Probing the infraed behavior of the ghost-gluon vertex in quantum chromodynamics

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Quantum chemical topological analysis of hydrogen bonding in HX…HX and CH3X…HX dimers (X = Br, Cl, F)

We present a systematic investigation of the nature and strength of the hydrogen bonding in HX···HX and CH3X…HX (X = Br, Cl and F) dimers using ab initio MP2/aug-cc-pVTZ calculations in the framework of the quantum theory of atoms in molecules (QTAIM) and electron localisation functions (ELFs) methods. The electron density of the complexes has been characterised, and the hydrogen bonding energy, as well as the QTAIM and ELF parameters, is consistent, providing deep insight into the origin of the hydrogen bonding in these complexes. It was found that in both linear and angular HX…HX and CH3X…HX dimers, F atoms form stronger HB than Br and Cl, but they need short (∼2 Å) X…HX contacts.

Dirac fermions in strong electric field and quantum transport in graphene

Our previous results on the nonperturbative calculations of the mean current and of the energy-momentum tensor in QED with the T-constant electric field are generalized to arbitrary dimensions. The renormalized mean values are found, and the vacuum polarization contributions and particle creation contributions to these mean values are isolated in the large T limit; we also relate the vacuum polarization contributions to the one-loop effective Euler-Heisenberg Lagrangian. Peculiarities in odd dimensions are considered in detail. We adapt general results obtained in 2 + 1 dimensions to the conditions which are realized in the Dirac model for graphene. We study the quantum electronic and energy transport in the graphene at low carrier density and low temperatures when quantum interference effects are important. Our description of the quantum transport in the graphene is based on the so-called generalized Furry picture in QED where the strong external field is taken into account nonperturbatively; this approach is not restricted to a semiclassical approximation for carriers and does not use any statistical assumptions inherent in the Boltzmann transport theory. In addition, we consider the evolution of the mean electromagnetic field in the graphene, taking into account the backreaction of the matter field to the applied external field. We find solutions of the corresponding Dirac-Maxwell set of equations and with their help we calculate the effective mean electromagnetic field and effective mean values of the current and the energy-momentum tensor. The nonlinear and linear I-V characteristics experimentally observed in both low-and high-mobility graphene samples are quite well explained in the framework of the proposed approach, their peculiarities being essentially due to the carrier creation from the vacuum by the applied electric field. DOI: 10.1103/PhysRevD.86.125022

QUANTUM FIELD THEORY IN GRAPHENE

This is a short nontechnical introduction to applications of the Quantum Field Theory methods to graphene. We derive the Dirac model from the tight binding model and describe calculations of the polarization operator (conductivity). Later on, we use this quantity to describe the Quantum Hall Effect, light absorption by graphene, the Faraday effect, and the Casimir interaction.

Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules

Some atomic multipoles (charges, dipoles and quadrupoles) from the Quantum Theory of Atoms in Molecules (QTAIM) and CHELPG charges are used to investigate interactions between a proton and a molecule (F2, Cl2, BF, AlF, BeO, MgO, LiH, H2CO, NH3, PH3, BF3, and CO2). Calculations were done at the B3LYP/6-311G(3d,3p) level. The main aspect of this work is the investigation of polarization effects over electrostatic potentials and atomic multipoles along a medium to long range of interaction distances. Large electronic charge fluxes and polarization changes are induced by a proton mainly when this positive particle approaches the least electronegative atom of diatomic heteronuclear molecules. The search for simple equations to describe polarization on electrostatic potentials from QTAIM quantities resulted in linear relations with r-4 (r is the interaction distance) for many cases. Moreover, the contribution from atomic dipoles to these potentials is usually the most affected contribution by polarization what reinforces the need for these dipoles to a minimal description of purely electrostatic interactions. Finally, CHELPG charges provide a description of polarization effects on electrostatic potentials that is in disagreement with physical arguments for certain of these molecules. (c) 2012 Wiley Periodicals, Inc.

Quantum oscillations of spin polarization in a GaAs/AlGaAs double quantum well

5 We employ the circular-polarization-resolved magnetophotoluminescence technique to probe the spin character of electron and hole states in a GaAs/AlGaAs strongly coupled double-quantum-well system. The photoluminescence (PL) intensities of the lines associated with symmetric and antisymmetric electron states present clear out-of-phase oscillations between integer values of the filling factor. and are caused by magnetic-field-induced changes in the population of occupied Landau levels near to the Fermi level of the system. Moreover, the degree of circular polarization of these emissions also exhibits the oscillatory behavior with increasing magnetic field. Both quantum oscillations observed in the PL intensities and in the degree of polarizations may be understood in terms of a simple single-particle approach model. The k . p method was used to calculate the photoluminescence peak energies and the degree of circular polarizations in the double-quantum-well structure as a function of the magnetic field. These calculations prove that the character of valence band states plays an important role in the determination of the degree of circular polarization and, thus, resulting in a magnetic-field-induced change of the polarization sign.

URANS calculations for smooth circular cylinder flow in a wide range of Reynolds Numbers: solution verification and validation

The flow around circular smooth fixed cylinder in a large range of Reynolds numbers is considered in this paper. In order to investigate this canonical case, we perform CFD calculations and apply verification & validation (V&V) procedures to draw conclusions regarding numerical error and, afterwards, assess the modeling errors and capabilities of this (U)RANS method to solve the problem. Eight Reynolds numbers between Re = 10 and Re 5 x 10(5) will be presented with, at least, four geometrically similar grids and five discretization in time for each case (when unsteady), together with strict control of iterative and round-off errors, allowing a consistent verification analysis with uncertainty estimation. Two-dimensional RANS, steady or unsteady, laminar or turbulent calculations are performed. The original 1994 k - omega SST turbulence model by Menter is used to model turbulence. The validation procedure is performed by comparing the numerical results with an extensive set of experimental results compiled from the literature. [DOI: 10.1115/1.4007571]