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L'intégration monolithique de matériaux III-V ou Ge sur Si est un enjeu majeur de l'hétéroépitaxie qui a donné lieu à de nombreuses recherches depuis plus de vingt ans. Car premièrement, il permet de combiner des fonctionnalités optoélectroniques au standard industriel CMOS, cela peut remplacer des interconnexions métalliques par des interconnexions optiques dans lescircuits intégrés. De plus, le procédé d'intégration de semiconducteurs III-V ou de Ge sur Si permettrait de réduire sensiblement le coût de fabrication des cellules solaire pour le marché de niche du spatial.L'hétéroépitaxie directe de tels matériaux sur Si n'est pas aisée du fait du fort désaccord de maille et du différent coefficient de dilatation thermique entre ces matériaux. Plusieurs méthodes on tété proposées au cours des 20 derniers, notamment les solutions reposant sur des technologies de report telle que 'Smart Cut TM', 'GEOI condensation' donnent d'excellents résultats, mais n'offre pas autant de souplesse qu'une technologie d'hétéroépitaxie, et induit des coûts nettement supérieurs.L'objectif de cette thèse est de proposer une solution qui consiste à intégrer de façon monolithique des semiconducteurs III-V sur Si en utilisant des couches tampons des oxydes. Nous avons tout d'abord montré de manière théoriquement et expéritalement que pour les systèmes semiconducteur/oxyde, le semiconducteur croît avec son paramètre de maille massif dès le début decroissance et ne contient pas de défaut entendus associé à la relaxation plastique, la différence deparamètre de maille est entièrement accommodée par un réseau de dislocation interfacial. Il est donc apriori possible d'obtenir une couche 2D plane de semiconducteur/oxyde par la coalescence des îlots sans défauts étendus, présentant le paramètre de maille massif du semiconducteur dès le début de lacroissance, a condition qu'aucun défaut ne soit formé lors de la coalescence des îlots.La deuxième partie est dédiée à la coalescence des îlots pour le système InP/SrTiO3/Si, une stratégie de 3-étape a été utilisé pour favoriser la coalescence des îlots InP sur SrTiO3, la couche InPcoalescée présente une très bonne qualité structurale et surfacique. Cependant, nous avons observé la présence de défauts, notamment des micromacles et des parois d'inversion. Malgré ses défauts dans la couche, nous avons réalisé le puits quantique InP/InAsP épitaxié sur SrTiO3/Si, il présente une meilleure qualité cristalline et optique comparé avec un puits quantique référence InP/InAsP qui est épitaxié directement sur Si.

The electrical properties of nanowire-based n-InSb-n-InAs heterojunctions grown by chemical beam epitaxy were investigated both theoretically and experimentally. This heterostructure presented a type-III band alignment with the band bendings at 0.12 eV for InAs side and 0.16 − 0.21 eV in InSb. Analysis of the temperature dependent current voltage characteristics showed that the current through the heterojunction is caused mostly by generation-recombination processes in the InSb and at the heterointerface. Due to the partially overlapping valence band of InSb and the conduction band of InAs, the second process was fast and activationless. Theoretical analysis showed that, depending on the heterojunction parameters, the flux of non-equilibrium minority carriers may have a different direction, explaining the experimentally observed non-monotonic coordinate dependence of the electron beam induced current at the vicinity of heterointerface.

The electrical properties of nanowire-based n-InSb-n-InAs heterojunctions grown by chemical beam epitaxy were investigated both theoretically and experimentally. This heterostructure presented a type-III band alignment with the band bendings at 0.12 eV for InAs side and 0.16 − 0.21 eV in InSb. Analysis of the temperature dependent current voltage characteristics showed that the current through the heterojunction is caused mostly by generation-recombination processes in the InSb and at the heterointerface. Due to the partially overlapping valence band of InSb and the conduction band of InAs, the second process was fast and activationless. Theoretical analysis showed that, depending on the heterojunction parameters, the flux of non-equilibrium minority carriers may have a different direction, explaining the experimentally observed non-monotonic coordinate dependence of the electron beam induced current at the vicinity of heterointerface.

abstract: As existing solar cell technologies come closer to their theoretical efficiency, new concepts that overcome the Shockley-Queisser limit and exceed 50% efficiency need to be explored. New materials systems are often investigated to achieve this, but the use of existing solar cell materials in advanced concept approaches is compelling for multiple theoretical and practical reasons. In order to include advanced concept approaches into existing materials, nanostructures are used as they alter the physical properties of these materials. To explore advanced nanostructured concepts with existing materials such as III-V alloys, silicon and/or silicon/germanium and associated alloys, fundamental aspects of using these materials in advanced concept nanostructured solar cells must be understood. Chief among these is the determination and predication of optimum electronic band structures, including effects such as strain on the band structure, and the material's opto-electronic properties. Nanostructures have a large impact on band structure and electronic properties through quantum confinement. An additional large effect is the change in band structure due to elastic strain caused by lattice mismatch between the barrier and nanostructured (usually self-assembled QDs) materials. To develop a material model for advanced concept solar cells, the band structure is calculated for single as well as vertical array of quantum dots with the realistic effects such as strain, associated with the epitaxial growth of these materials. The results show significant effect of strain in band structure. More importantly, the band diagram of a vertical array of QDs with different spacer layer thickness show significant change in band offsets, especially for heavy and light hole valence bands when the spacer layer thickness is reduced. These results, ultimately, have significance to develop a material model for advance concept solar cells that use the QD nanostructures as absorbing medium. The band structure calculations serve as the basis for multiple other calculations. Chief among these is that the model allows the design of a practical QD advanced concept solar cell, which meets key design criteria such as a negligible valence band offset between the QD/barrier materials and close to optimum band gaps, resulting in the predication of optimum material combinations. / Dissertation/Thesis / Ph.D. Electrical Engineering 2011

Os compostos semicondutores ternários, dentre eles o Ga1-xInxSb, têm sido objeto de interesse de pesquisadores e da indústria microeletrônica devido à possibilidade de ajuste da constante de rede, assim como a correspondente modificação da banda proibida de energia e do intervalo de emissão e absorção óptica, com a variação da fração molar de x. A flexibilidade destas propriedades estruturais torna este composto apropriado como substratos para epitaxias de outros compostos ternários e quaternários, na formação de mono e heterojunções. A maneira mais econômica para obtenção de substratos de materiais semicondutores é através do crescimento de cristais a partir da fase líquida. Porém, os parâmetros que regem a obtenção de lingotes de Ga1-xInxSb com qualidade comercial, a partir da fase líquida, ainda não estão bem definidos. O índio tende a segregar para o líquido, pois seu coeficiente de segregação é menor que a unidade (k < 1), resultando num perfil composicional variado ao longo do lingote. Como os binários GaSb e InSb apresentam configurações de defeitos intrínsecos que originam condutividades de tipos opostos, tipo p e tipo n, respectivamente, a mudança na composição da liga, durante o crescimento, provavelmente resulta na modificação da concentração de cada um destes defeitos. A dopagem com telúrio consiste numa alternativa para minimizar a segregação do índio e diminuir a densidade dos defeitos pontuais, melhorando a qualidade estrutural de cristais de Ga1-xInxSb obtidos através do método Bridgman convencional. Desta forma foram crescidos cristais ternários Ga1-xInxSb, com e sem agitação do líquido durante a síntese, com fração molar inicial de índio de 10% e 20%, alguns deles dopados com 1020 átomos/cm3 de telúrio, pelo método Bridgman vertical. A caracterização estrutural em termos de formação de defeitos lineares, interfaciais e volumétricos foi realizada através de imagens obtidas por microscopia óptica, eletrônica de varredura e de transmissão. A homogeneidade composicional e distribuição de fases foi avaliada através de medidas de espectroscopia por dispersão de energia. Medidas de resistividade e efeito Hall foram utilizadas para a caracterização elétrica, enquanto que a transmitância óptica e a banda proibida de energia foram avaliadas por espectrometria FTIR. Os padrões de difração obtidos através da microscopia eletrônica de transmissão foram utilizados para avaliar a cristalinidade das amostras e determinar o parâmetro de rede. Os resultados obtidos indicam que o telúrio atua de forma compensatória, minimizando a segregação de índio e contribuindo para a homogeneidade composicional e redução de defeitos, principalmente de discordâncias. Além disso, altera a condutividade do Ga1-xInxSb para tipo n, mesmo em frações molares de In inferiores a x = 0,5, diminuindo o número de cargas positivas na rede atribuídas aos defeitos tipo GaSb e VGaGaSb e, desta forma, aumenta a concentração de portadores de carga e reduz a resistividade. Na condição de alta dopagem, reduz a transmitância óptica no infravermelho e aumenta a banda proibida de energia através do efeito Burstein-Moss. A avaliação de cristais de Ga1-xInxSb, dopados e não dopados, crescidos pelo método Bridgman convencional contribuiu para o entendimento do comportamento de dopantes em compostos semicondutores ternários. / Ternary compound semiconductors, including Ga1-xInxSb, have been subject of interest of researchers and microelectronics industry because of the possibility of adjusting the lattice constant, as well as the corresponding modification in the band gap energy, and in the optical absorption and emission range, by varying the mole fraction x. The flexibility of their structural properties makes this compound suitable as substrates for epitaxy of other ternary and quaternary compounds, in the formation of mono- and heterojunctions. The most economical way to obtain semiconductor substrates is by crystal growth from the liquid phase. However, the parameters governing the outcoming of Ga1-xInxSb ingots with commercial quality, from liquid phase, are not well defined. Indium tends to segregate to the liquid, since its segregation coefficient is less than the unity (k < 1), resulting in a varied compositional profile along the ingot. As the binary GaSb and InSb have intrinsic defects configurations that originate opposite conductivities, type p and type n, respectively, the change in the alloy composition, while growing, probably results in a modification of the concentration on each of these defects. Doping with tellurium is an alternative to minimize the indium segregation and decrease the density of point defects, therefore improving the structural quality of Ga1-xInxSb crystals obtained through the conventional Bridgman method. Thus, ternary Ga1-xInxSb crystals were grown by vertical Bridgman method with and without stirring the melt during the synthesis, with 10% and 20% initial molar fraction of indium and some of them were tellurium-doped at 1020 atoms/cm3. The structural characterization regarding linear, interfacial, and volumetric defects formation was performed by using images obtained through optical, scanning and transmission electron microscopy. The compositional homogeneity and phase distribution was assessed by energy-dispersive spectroscopy measurements. Resistivity and Hall Effect measurements were used for the electrical characterization, while the optical transmittance and the band gap energy were examined by FTIR spectroscopy. Diffraction patterns obtained by transmission electron microscopy were used to evaluate the crystallinity of the samples and determine the lattice parameter. The results indicate that tellurium acts in a compensatory way, minimizing indium segregation and contributing to the compositional homogeneity and defect reduction, especially in dislocations. In addition, it changes the conductivity of Ga1-xInxSb to n-type, even in mole fraction of In lower than x = 0.5, reducing the number of positive charges on the network assigned to GaSb and VGaGaSb defects, thus increasing the concentration of charge carriers and reducing the resistivity. In high doping condition, it reduces the optical transmittance in the infrared region and increases the energy of the band gap by the Burstein-Moss Effect. The evaluation of Ga1-xInxSb crystals, doped and undoped, grown by the conventional Bridgman method contributed to the understanding of dopants behavior in ternary compound semiconductors.

O processo de isolação elétrica por implantação de prótons é estudado para os casos do semicondutor GaAs e de estruturas DBR - Distributed Bragg Reflectors - de AlGaAs. A obtenção da energia crítica de implantação em camadas DBR de dispositivos VCSELs, Vertical Cavity Surface Emmiting Lasers, é exemplificada. Medidas da evolução da resistência destas estruturas com a dose de prótons irradiada, tanto para amostras tipo-n quanto para tipo-p, revelaram comportamentos qualitativamente semelhantes para os transportes eletrônicos paralelo e perpendicular às heterojunções. O mesmo valor de dose de limiar para isolação pode ser usado em ambos os casos. A estabilidade térmica da isolação de camadas DBR é estimada em ~150oC. O uso de um modelo simples de conservação de carga é sugerido para a simulação do processo de isolação por implantação em semicondutores, empregando como entrada a distribuição de níveis introduzidos pela irradiação. A comparação dos resultados dessa simulação com dados experimentais para o caso específico do GaAs revela que os modelos de defeitos previamente associados a antisítios na literatura não são suficientes para descrever a isolação. Os dados obtidos até então sobre a estrutura de níveis introduzida pela implantação com prótons também não reproduzem completamente o comportamento observado. Um sistema para medidas de Espectroscopia de Transientes de Níveis Profundos (DLTS) foi desenvolvido para a realização de experimentos visando identificar os níveis responsáveis pela isolação e determinar seus parâmetros relevantes. Quatro contribuições principais foram observadas em GaAs tipo-n (n1, n2, n3 e n4) implantado com prótons, e outras cinco para GaAs tipo-p (p1, p2, p3, p4 e p5). O nível p1, com energia aparente de 0,05 eV e secção de choque de captura de lacunas de 1x10-16 cm2, havia sido identificado previamente em amostras irradiadas com elétrons, mas pela primeira vez foi medido em amostras GaAs tipo-p implantadas com prótons. Medidas de variação de taxas de emissão com o campo elétrico foram realizadas em n1, n2, n3, p1, p2 e p3. O efeito Poole-Frenkel foi identificado como o responsável pelo comportamento observado em p2. Já para n3 e n1, mostrou-se que o responsável é o efeito de tunelamento auxiliado por fônons. O nível p3 não apresentou variação considerável em sua taxa de emissão com o campo; enquanto que os níveis n2 e p1revelaram comportamentos que indicam a presença de ambos os efeitos (Poole-Frenkel e tunelamento auxiliado por fônons). Esses dados, combinados com informações sobre as taxas de introdução obtidas a partir dos espectros DLTS, nos levam a parâmetros para os defeitos introduzidos pela implantação que conseguem descrever, de maneira aceitável, a curva de isolação experimental para doses menores que aproximadamente o dobro da dose de limiar, sugerindo que vacâncias de arsênio e anti-sítios de GaAs desempenhem um papel importante nesta etapa do processo. / The electrical isolation by proton implantation process is studied for the specific cases of AlGaAs Distributed Bragg Reflectors (DBR) and bulk GaAs. The critical implant energy evaluation is exemplified for AlGaAs DBR layers on Vertical Cavity Surface Emmiting Lasers devices. Sheet resistance measurements as a function of the proton fluence on both p-type and n-type samples presented similar behaviors for the electronic transports parallel and perpendicular to the heterojunctions. The same dose threshold value can be used in both cases. The DBR structures isolation thermal stability is estimated as ~150oC. A simple charge neutrality calculation is employed to simulate the implant isolation process in semiconductors using as input data on the deep levels introduced during irradiation. For the case of bulk GaAs, comparison between simulation results and experimental sheet resistance versus dose curves pointed out that models previously suggested for anti-site defects are not able, by their own, to reproduce the actual isolation behavior. Simulation using information previously obtained on proton implant related deep levels also didn’t reproduce the experimental curves. A Deep Level Transient Spectroscopy (DLTS) system was developed in order to properly identify the deep levels introduced by proton implantation and obtain the relevant parameters regarding each one of these levels. Four main contributions were measured in n-type proton bombarded GaAs (n1, n2, n3 and n4), and other five in p-type samples (p1, p2, p3, p4 and p5). p1 level, with 0.05 eV apparent energy and 1x10-16 cm2 apparent capture cross section, was measured for the first time in proton implanted GaAs. Electric field related emission rate enhancement measurements were carried out on n1, n2, n3, p1, p2 and p3. Poole-Frenkel effect was identified as the responsible for the behavior obtained for p2. Concerning the cases of n3 and n1, the effect responsible for the measured emission rate enhancement was found to be the phonon assisted tunneling. Level p3 presented no appreciable emission rate enhancement with the electric field, and levels n2 and p1 revealed behaviors pointing out the presence of both Poole-Frenkel and phonon assisted tunneling effects. Introduction rates of the measured levels were also obtained. All these data and other previous information on defects in proton bombarded GaAs could then be compiled together, producing a more complete and accurate input for the simulation, which leads to results reproducing the experimental curve in an acceptable manner for doses lower than twice the threshold value. This result points to a very active participation of As vacancies and GaAs in the GaAs implant isolation process.

The development of ultraviolet semiconductor emitters (LEDs and lasers) will enable a large number of industrial and medical applications. AlGaN alloys are ideally suited for the development of such devices since their energy gap can be tuned from the near UV (365 nm) to deep UV (200 nm). However, the doping of such materials n- and p-type is difficult. Another problem is the generally poor light extraction efficiency from both UV and visible LEDs. This research addressed the first problem by developing UV emitters in the form of graded-index-separate-confinement-heterostructure (GRINSCH). In these device the active region is embedded in two compositionally graded wave guiding layers. Due to the polar nature of nitride semiconductors these compositionally graded AlGaN films are doped p- or n-type if the grading changes from high to low concentration or from low to high concentration respectively. Thus, a p-n junction is automatically formed without the incorporation of dopants. The polarization induced doping level in these structures was calculated to be 1018cm-3 for the p- and n-sides. A number of devices, whose active region is either 75 nm Al0.72Ga0.28N bulk film or multiple QWs have been grown on 6H-SiC substrates by Molecular-Beam Epitaxy (MBE) and investigated. The emission properties of these structures were investigated by cathodoluminescence (CL) and by measuring their optical gain. A maximum net modal gain in excess of 80 cm-1 was measured with an optical gain threshold of 14 µJ / cm2. Some of these structures, emitting in the near UV, were also electrically pumped. The second problem was addressed by incorporating dielectric (TiO2) photonic crystals on the phosphor plates of white LEDs in order to increase the light extraction efficiency upon illumination with blue LEDs. The two-dimensional (2D) hexagonal-lattice of TiO2 photonic crystal was formed by e-beam lithography on low-scattering (Y1-xCex)3Al5O12 (YAG:Ce) ceramic phosphor plates. Yellow light extraction enhancement by a factor of 4.4 was achieved with a 2D photonic crystal nano-cylinders having diameter 430 nm, lattice constant of 580 nm and height of 350 nm. Simulations using a three-dimensional finite difference time domain are consistent with our measured data.

abstract: ABSTRACT An Ensemble Monte Carlo (EMC) computer code has been developed to simulate, semi-classically, spin-dependent electron transport in quasi two-dimensional (2D) III-V semiconductors. The code accounts for both three-dimensional (3D) and quasi-2D transport, utilizing either 3D or 2D scattering mechanisms, as appropriate. Phonon, alloy, interface roughness, and impurity scattering mechanisms are included, accounting for the Pauli Exclusion Principle via a rejection algorithm. The 2D carrier states are calculated via a self-consistent 1D Schrödinger-3D-Poisson solution in which the charge distribution of the 2D carriers in the quantization direction is taken as the spatial distribution of the squared envelope functions within the Hartree approximation. The wavefunctions, subband energies, and 2D scattering rates are updated periodically by solving a series of 1D Schrödinger wave equations (SWE) over the real-space domain of the device at fixed time intervals. The electrostatic potential is updated by periodically solving the 3D Poisson equation. Spin-polarized transport is modeled via a spin density-matrix formalism that accounts for D'yakanov-Perel (DP) scattering. Also, the code allows for the easy inclusion of additional scattering mechanisms and structural modifications to devices. As an application of the simulator, the current voltage characteristics of an InGaAs/InAlAs HEMT are simulated, corresponding to nanoscale III-V HEMTs currently being fabricated by Intel Corporation. The comparative effects of various scattering parameters, material properties and structural attributes are investigated and compared with experiments where reasonable agreement is obtained. The spatial evolution of spin-polarized carriers in prototypical Spin Field Effect Transistor (SpinFET) devices is then simulated. Studies of the spin coherence times in quasi-2D structures is first investigated and compared to experimental results. It is found that the simulated spin coherence times for GaAs structures are in reasonable agreement with experiment. The SpinFET structure studied is a scaled-down version of the InGaAs/InAlAs HEMT discussed in this work, in which spin-polarized carriers are injected at the source, and the coherence length is studied as a function of gate voltage via the Rashba effect. / Dissertation/Thesis / Ph.D. Electrical Engineering 2011