Density functional theory calculation of the electronic structure of Ba0.5Sr0.5TiO3: Photoluminescent properties and structural disorder

First-principles quantum-mechanical techniques, based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models for Ba0.5Sr 0.5TiO3. Electronic properties are analyzed and the relevance of the present theoretical and experimental results on the photoluminescence behavior is discussed. The presence of localized electronic levels in the band gap, due to the symmetry break, would be responsible for the visible photoluminescence of the amorphous state at room temperature. Thin films were synthesized following a soft chemical processing. Their structure was confirmed by x-ray data and the corresponding photoluminescence properties measured.

Supersimetria, método variacional e potencial de Lennard-Jones (12,6)

In this work a review of the supersymmetric quantum mechanics formalism combined with the variational method is done. This approach is useful in order to obtain numerical values for the energy eigenvalues from Schrödinger equation. As an example, the energy eigenvalues from the Lennard-Jones (12,6) potential are determined and the results are compared with other ones obtained from different methods. Copyright by the Sociedade Brasileira de Física.

Bringing together gravity and the quanta

Due to its underlying gauge structure, teleparallel gravity achieves a separation between inertial and gravitational effects. It can, in consequence, describe the isolated gravitational interaction without resorting to the equivalence principle, and is able to provide a tensorial definition for the energy-momentum density of the gravitational field. Considering the conceptual conflict between the local equivalence principle and the nonlocal uncertainty principle, the replacement of general relativity by its teleparallel equivalent can be considered an important step towards a prospective reconciliation between gravitation and quantum mechanics. © 2006 American Institute of Physics.

The gyromagnetic factor of elementary particles and non-minimal coupling

In this work we investigate a possible magnetic moment generation for massive neutral particles with spins-1 and -2 coupled non-minimally, in a specific way, to an external electromagnetic field. It is found that, in the nonrelativistic limit, these particles present g = 1. This result, worked out in the framework of Relativistic Quantum Mechanics, seems to suggest that g = 1 for all massive and neutral particles of any spin ≤ 2. We also compare with the results obtained for massive charged particles of spins-1 and -2, in the same regime (nonrelativistic), in order to investigate the role played by the spin separetely from the charge. Copyright © owned by the author(s) under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike Licence.

A simple derivation of the Lindblad equation

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Soluções da equação de Fokker-Planck para um potencial isoespectral ao potencial de Morse

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Estudo de sistema molecular confinado

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

Estudos de confinamento quântico em ligações de hidrogênio

Pós-graduação em Biofísica Molecular - IBILCE

Estudo teórico das propriedades químicas e físicas envolvendo o elemento 118

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Ensaios sobre computação e informação quânticas: fundamentação e simulações sobre o efeito da entropia

Pós-graduação em Ciência da Computação - IBILCE

A dialética do conhecimento científico, a prática e a experimentação: uma análise do ideário de licenciandos e sua relação com a epistemologia da ciência moderna

Pós-graduação em Educação para a Ciência - FC

Princípio variacional de Schwinger e teoria quântica - aplicações à mecânica quântica quaterniônica e ao estudo de sistemas singulares

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

Hipercomplexos: um estudo da analicidade e da hiperperiodicidade de funções octoniônicas

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Sistemas com dois geradores supersimétricos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Soluções analíticas da equação de Duffin-Kemmer-Petiau

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)