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"The objective of this project was to extend fundamentally the current kp theory by applying the Burt-Foreman formalism, rather than the conventional Luttinger-Kohn formalism, to a number of novel nanostructure geometries. The theory itself was extended in two ways. First in the application of the Burt-Foreman theory to computing the momentum matrix elements. Second in the development of a new formulation of the multiband kp Hamiltonian describing cylindrical quantum dots. A number of new and interesting results have been obtained. The computational implementation using the finite difference method of the Burt-Foreman theory for two dimensional nanostructures has confirmed that a non-uniform grid is much more efficient, as had been obtained by others in one dimensional nanostructures. In addition we have demonstrated that the multiband problem can be very effectively and efficiently solved with commercial software (FEMLAB). Two of the most important physical results obtained and discussed in the dissertation are the following. One is the first ab initio demonstration of possible electron localization in a nanowire superlattice in a barrier material, using a full numerical solution to the one band kp equation. The second is the demonstration of the exactness of the Sercel-Vahala transformation for cylindrical wurtzite nanostructures. Comparison of the subsequent calculations to experimental data on CdSe nanorods revealed the important role of the linear spin splitting term in the wurtzite valence band."

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Made available in DSpace on 2015-04-22T22:07:25Z (GMT). No. of bitstreams: 1 DISSERTACAO-JOSE DILSON.pdf: 2263133 bytes, checksum: bbf5adbba042abf3bd96506b874e8845 (MD5) Previous issue date: 2009-04-02 / Fundação de Amparo à Pesquisa do Estado do Amazonas / The scattering matrix technique is used to calculate the transmissivity of polarized spins through semiconductors heterostructures of asymmetrical double barrier. The movement of electrons is described in the effective mass approach of the Dresselhaus-Rashba.models.The transmissivity and polarization are calculated as a function of electron energy with kk = 0.5 × 106 cm−1, kk = 1 × 106 cm−1, kk = 1.5 × 106 cm−1 e kk = 2 × 106 cm−1 varying the angle φ InAs/GaSb/InAs/GaSb/InAs system. Fixing the parallel moment kk and varying φ = 0◦, 15◦, 30◦, 60◦, 75◦, and 90◦ we observed that the positions of the resonant picks vary faintly with the energy and the transmission curves change more strongly in the areas out of the resonance with the polarization reaching values among 10% − 82% in the resonant levels.For the directions φ = 45◦ and 135◦ the spin mixing produces an efficiency of polarization of 100% and the effects of the Dresselhaus and Rashba spin-orbit interactions are shown quite favorable to the engineered for fabricating of spin filters and spintronics devices. / A técnica da matriz de espalhamento é usada para calcular a transmissividade de spins polarizados, através de heteroestruturas semicondutoras de dupla barreira assimétrica. O movimento de elétrons de condução são descritos na aproximação da massa efetiva dos modelos de Dresselhaus-Rashba. A transmissividade e a polarização são calculadas como função da energia do elétron para kk = 0, 5×106 cm−1, kk = 1×106 cm−1, kk = 1, 5×106 cm−1 e kk = 2×106 cm−1, com vários valores de φ, para um sistema InAs/GaSb/InAs/GaSb/InAs. Fixando o momento paralelo kk e variando φ = 0◦, 15◦, 30◦, 60◦, 75◦, e 90◦ observamos que as posições dos picos ressonantes variam fracamente com a energia e as curvas de transmissão mudam mais fortemente nas regiões fora da ressonância com a polarização atingindo valores entre 10% −→ 82% nos níveis ressonantes. Para as direções φ = 45◦ e 135◦ o spin mixing produz uma eficiência de polarização de 100% e os efeitos das interações spin-órbita de Dresselhaus e Rashba mostram-se bastante favoráveis à engenharia na fabricação de filtrode spin e dispositivos spintrônicos.

Neste trabalho desenvolvemos rotinas computacionais em Python para o cálculo de propriedades dinâmicas (espectros de fotocorrente e absorção) de heteroestruturas semicondutoras baseadas em Dinâmica Quântica. Em uma primeira etapa do desenvolvimento do projeto, a formulação baseada na evolução temporal das soluções da equação de Schrödinger dependente do tempo foi aplicada a sistemas com soluções analíticas conhecidas ou com resultados já reportados na literatura. Devido à excelente concordância entre nossos dados e aqueles já conhecidos, em uma etapa seguinte, foram calculadas as energias de transição observadas em espectros de fotoluminescência para poços quânticos de InGaAs/GaAs, crescidos por MBE, levando-se em conta os efeitos de tensão e segregação de átomos de índio. Na continuidade do projeto, especial atenção foi dada ao desenvolvimento de estratégias para calcular os espectros de absorção e fotocorrente para dispositivos do Estado Sólido. O conjunto de resultados apresentados neste trabalho demonstra que a metodologia desenvolvida é precisa e pode ser utilizada com baixo custo computacional para o modelamento de heteroestruturas semicondutoras mais complexas, que servem de base para o desenvolvimento de dispositivos optoeletrônicos. / In this work we developed computational routines in Python for the calculation of the dynamic properties (spectrum of photocurrent and absorption) of semiconductor heterostructures based on Quantum Dynamics Theory. In a first stage of the development of the project the formulation based on the time evolution of the solutions of the time dependent Schrödinger equation was applied to systems with known analytical solutions or results already reported in the literature. Due to the excellent agreement between our data and those already known, in the next stage the transition energies observed in photoluminescence spectra for InGaAs/GaAs quantum wells, grown by MBE, were calculated taking into account the effects of stress and segregation of indium atoms. In the continuity of the project, special attention was given to the development of strategies to calculate absorption and photocurrent spectra for solid state devices. The set of results presented in this work demonstrates that the methodology developed is accurate and can be used with low computational cost for the modeling of more complex semiconductor heterostructures, which are used for the development of optoelectronic devices.

This thesis deals with infrared studies of impurity states, ultrafast carrier dynamics as well as coherent intersubband polarizations in semiconductor quantum structures such as quantum wells and superlattices, based on the GaAs/AlGaAs material system. In the first part it is shown that the 2pz confined impurity state of a semiconductor quantum well develops into an excited impurity band in the case of a superlattice. This is studied by following theoretically the transition from a single to a multiple quantum well or superlattice by exactly diagonalizing the three-dimensional Hamiltonian for a quantum well system with random impurities. Intersubband absorption experiments, which can be nearly perfectly reproduced by the theory, corroborate this interpretation, showing that at low temperatures in the low doping density regime all optical transitions originate from impurity transitions. These results also require reinterpretation of previous experimental data. The relaxation dynamics of interminiband transitions in doped GaAs/AlGaAs superlattices in the mid-IR are studied. This involves single-color pump-probe measurements to explore the dynamics at different wavelengths, which is performed with the Rossendorf freeelectron laser (FEL), providing picosecond pulses in a range from 3-200 µm and are used for the first time within this thesis. In these experiments, a fast bleaching of the interminiband transition is observed followed by thermalization and subsequent relaxation, whose time constants are determined to be 1-2 picoseconds. This is followed by an additional component due to carrier cooling in the lower miniband. In the second part, two-color pump-probe measurements are performed, involving the FEL as the pump source and a table-top broad-band tunable THz source for probing the transmission changes. These measurements allow a separate specification of the cooling times after a strong excitation, exhibiting time constants from 230 ps to 3 ps for different excitation densities and miniband widths. In addition, the dynamics of excited electrons within the minibands is explored and their contribution quantitatively extracted from the measurements. Intersubband absorption experiments of photoexcited carriers in single quantum well structures, measured directly in the time-domain, i.e. probing coherently the polarization between the first and the second subband, are presented. From the data we can directly extract the density and temperature dependence of the intersubband dephasing time between the two lowest subbands, ranging from 50 up to 400 fs. This all optical approach gives us the ability to tune the carrier concentration over an extremely wide range which is not accessible in a doped quantum well sample. By varying the carrier density, many-body effects such as the depolarization and their influence on the spectral position as well as on the lineshape on the intersubband dephasing are studied. Also the difference of excitonic and free-carrier type excitation is discussed, and indication of an excitonic intersubband transition is found.

In this work optical properties of two dimensional quantum well structures are studied. Variational calculation of the eigenstates in an isolated quantum well structure with and without the external electrical field is presented. At weak fields a quadratic Stark shift is found whose magnitude depends strongly on the finite well depth. It is observed that under external electrical field, the asymmetries due to lack of inversion symmetry leads to higher order nonlinear optical effects such as second order optical polarization and second order optical susceptibility.

Neste trabalho desenvolvemos rotinas computacionais em Python para o cálculo de propriedades dinâmicas (espectros de fotocorrente e absorção) de heteroestruturas semicondutoras baseadas em Dinâmica Quântica. Em uma primeira etapa do desenvolvimento do projeto, a formulação baseada na evolução temporal das soluções da equação de Schrödinger dependente do tempo foi aplicada a sistemas com soluções analíticas conhecidas ou com resultados já reportados na literatura. Devido à excelente concordância entre nossos dados e aqueles já conhecidos, em uma etapa seguinte, foram calculadas as energias de transição observadas em espectros de fotoluminescência para poços quânticos de InGaAs/GaAs, crescidos por MBE, levando-se em conta os efeitos de tensão e segregação de átomos de índio. Na continuidade do projeto, especial atenção foi dada ao desenvolvimento de estratégias para calcular os espectros de absorção e fotocorrente para dispositivos do Estado Sólido. O conjunto de resultados apresentados neste trabalho demonstra que a metodologia desenvolvida é precisa e pode ser utilizada com baixo custo computacional para o modelamento de heteroestruturas semicondutoras mais complexas, que servem de base para o desenvolvimento de dispositivos optoeletrônicos. / In this work we developed computational routines in Python for the calculation of the dynamic properties (spectrum of photocurrent and absorption) of semiconductor heterostructures based on Quantum Dynamics Theory. In a first stage of the development of the project the formulation based on the time evolution of the solutions of the time dependent Schrödinger equation was applied to systems with known analytical solutions or results already reported in the literature. Due to the excellent agreement between our data and those already known, in the next stage the transition energies observed in photoluminescence spectra for InGaAs/GaAs quantum wells, grown by MBE, were calculated taking into account the effects of stress and segregation of indium atoms. In the continuity of the project, special attention was given to the development of strategies to calculate absorption and photocurrent spectra for solid state devices. The set of results presented in this work demonstrates that the methodology developed is accurate and can be used with low computational cost for the modeling of more complex semiconductor heterostructures, which are used for the development of optoelectronic devices.