Quantum mechanical modeling of excited electronic states and their relationship to cathodoluminescence of BaZrO3

First-principles calculations set the comprehension over performance of novel cathodoluminescence (CL) properties of BaZrO3 prepared through microwave-assisted hydrothermal. Ground (singlet, s*) and excited (singlet s** and triplet t**) electronic states were built from zirconium displacement of 0.2 Å in {001} direction. Each ground and excited states were characterized by the correlation of their corresponding geometry with electronic structures and Raman vibrational frequencies which were also identified experimentally. A kind of optical polarization switching was identified by the redistribution of 4dz2 and 4dxz (Zr) orbitals and 2pz O orbital. As a consequence, asymmetric bending and stretching modes theoretically obtained reveal a direct dependence with their polyhedral intracluster and/or extracluster ZrO6 distortions with electronic structure. Then, CL of the as-synthesized BaZrO3 can be interpreted as a result of stable triplet excited states, which are able to trap electrons, delaying the emission process due to spin multiplicity changes. © 2013 AIP Publishing LLC.

Towards coherent optical control of a single hole spin: Rabi rotation of a trion conditional on the spin state of the hole

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Electron spin resonance of Gd3+ in the antiferromagnetic heavy fermion CeIn3 and its reference compound LaIn3

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Magnetic interactions and spin-reversal mechanism in ErMn1-xCoxO3-delta samples

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Fast optical preparation, control, and readout of a single quantum dot spin

We propose and demonstrate the sequential initialization, optical control, and readout of a single spin trapped in a semiconductor quantum dot. Hole spin preparation is achieved through ionization of a resonantly excited electron-hole pair. Optical control is observed as a coherent Rabi rotation between the hole and charged-exciton states, which is conditional on the initial hole spin state. The spin-selective creation of the charged exciton provides a photocurrent readout of the hole spin state.

Incommensurate spin-density-wave and metal-insulator transition in the one-dimensional periodic Anderson model

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Changing inter-molecular spin-orbital coupling for generating magnetic field effects in phosphorescent organic semiconductors

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Relating pseudospin and spin symmetries through charge conjugation and chiral transformations: the case of the relativistic harmonic oscillator

We solve the generalized relativistic harmonic oscillator in 1+1 dimensions, i.e., including a linear pseudoscalar potential and quadratic scalar and vector potentials which have equal or opposite signs. We consider positive and negative quadratic potentials and discuss in detail their bound-state solutions for fermions and antifermions. The main features of these bound states are the same as the ones of the generalized three-dimensional relativistic harmonic oscillator bound states. The solutions found for zero pseudoscalar potential are related to the spin and pseudospin symmetry of the Dirac equation in 3+1 dimensions. We show how the charge conjugation and gamma(5) chiral transformations relate the several spectra obtained and find that for massless particles the spin and pseudospin symmetry-related problems have the same spectrum but different spinor solutions. Finally, we establish a relation of the solutions found with single-particle states of nuclei described by relativistic mean-field theories with scalar, vector, and isoscalar tensor interactions and discuss the conditions in which one may have both nucleon and antinucleon bound states.

Confinement of spin-0 and spin-1/2 particles in a mixed vector-scalar coupling with unequal shapes for the potentials

The Klein - Gordon and the Dirac equations with vector and scalar potentials are investigated under a more general condition, V-v = V-s + constant. These isospectral problems are solved in the case of squared trigonometric potential functions and bound states for either particles or antiparticles are found. The eigenvalues and eigenfunctions are discussed in some detail. It is revealed that a spin-0 particle is better localized than a spin-1/2 particle when they have the same mass and are subjected to the same potentials.

Estados estacionários de partículas sem spin em potenciais quadrados

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Confining solutions of massive spin-0 bosons by a linear nonminimal vector coupling in the Duffin-Kemmer-Petiau theory

The Duffin-Kemmer-Petiau (DKP) equation, in the scalar sector of the theory and with a linear nominimal vector potential, is mapped into the nonrelativistic harmonic oscillator problem. The behavior of the solutions for this sort of vector DKP oscillator is discussed in detail.

The Yang-Lee edge singularity in spin models on connected and non-connected rings

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Generalized partition function zeros of 1D spin models and their critical behavior at edge singularities

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Scattering and bound states of spin-0 particles in a nonminimal vector double-step potential

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Mass generation for Abelian spin-1 particles via a symmetric tensor

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)